Molecule Details

Cc1nnc(CC(=O)Nc2cnccc2C)s1
3-aminopyridine-like Enamine
Molecular Properties
SMILES:
Cc1nnc(CC(=O)Nc2cnccc2C)s1
MW: 248.311
Fraction sp3: 0.27
HBA: 5
HBD: 1
Rotatable Bonds: 3
TPSA: 67.77
cLogP: 1.73114
Covalent Warhead:
Covalent Fragment:
Source
Enamine REAL: Z2627791575
CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8

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Cc1nnc(CN2CCC=C(F)C2)s1

AAR-POS-d2a4d1df-8

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O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11

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O=C(CC1CCCCC1)Nc1cccnc1

ALE-HEI-f28a35b5-9

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CC(=O)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr

AAR-POS-d2a4d1df-16

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CCC(=N)N

AAR-POS-d2a4d1df-17

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CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1

AAR-POS-d2a4d1df-20

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Cc1nnc(CC(=O)Nc2cccnc2)s1

ALE-HEI-f28a35b5-5
0.557

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Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.550

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Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.550

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Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.548

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.545

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Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.531

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Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.517

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Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.517

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Cc1ccncc1NC(=O)CCCCC(=N)N

PET-SGC-6e7c5dc0-1
0.516

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Cc1cc(CC(=O)Nc2cnccc2C)[nH]n1

EDJ-MED-c9f55a56-1
0.516

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Cc1nnc(NC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-2
0.508

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.508

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.508

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.500

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Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.500

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CC(=O)Nc1ccc(NCC(=O)Nc2cnccc2C)cc1

GAB-REV-70cc3ca5-21
0.500

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Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.500

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Cc1ccncc1NC(=O)Cc1ccc(S(N)(=O)=O)cc1

GAB-REV-70cc3ca5-20
0.500

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Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.500

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COc1ccc(-c2csc(CC(=O)Nc3cnccc3C)n2)cc1

GAB-REV-70cc3ca5-15
0.493

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Cc1ccncc1NC(=O)Cc1cccc(C(N)=O)c1

ANN-UNI-98d2bf15-2
0.493

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Cc1ccncc1NC(=O)Cc1cncc(C#N)c1

TRY-UNI-2eddb1ff-1
0.493

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Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.493

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Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.493

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Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.492

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Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.492

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Cc1ccncc1NC(=O)CC(C)C(C)C

MAT-POS-590ac91e-11
0.492

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CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.491

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CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.491

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CNC(=O)c1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-7
0.486

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Cc1ccncc1NC(=O)Cc1cccc(C#N)c1

TRY-UNI-714a760b-20
0.486

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(C(N)=O)c1

RAL-THA-6b94ceba-6
0.479

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Cc1ccncc1NC(=O)CCc1ccccc1F

BEN-DND-93268d01-7
0.478

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COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.478

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Cc1ccncc1NC(=O)Cc1cnn(C2(I)CC2)c1

DAR-DIA-0cde14eb-64
0.472

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Cc1ccncc1NC(=O)Cc1cnn(C2(C)CC2)c1

DAR-DIA-0cde14eb-61
0.472

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Cc1ccncc1NC(=O)CCNC(=O)c1ccccc1F

PET-SGC-2e937068-1
0.472

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Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

DAR-DIA-0cde14eb-76
0.471

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Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

ALP-POS-95b75b4d-3
0.471

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Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

JAN-GHE-83b26c96-14
0.471

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Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.470

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Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.470

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Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.470

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Cc1ccncc1NC(=O)Cc1cnn(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-62
0.466

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Cc1ccncc1NC(=O)Cc1cnn(C2(F)CC2)c1

DAR-DIA-0cde14eb-63
0.466

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Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1

GAB-REV-70cc3ca5-13
0.464

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Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.463

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Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.462

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COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.462

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Cc1ccncc1NC(=O)Cc1ccccc1-c1ccccn1

THO-SYG-cc9e9a11-2
0.459

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Cc1ccncc1NC(=O)Cc1cccc(C(C)(F)F)c1

DAR-DIA-0cde14eb-79
0.458

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COc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

MAT-POS-c9973a83-1
0.458

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Cc1ccncc1NC(=O)Cc1cccc(S(N)(=O)=O)c1

EDJ-MED-e58735b6-3
0.458

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Cc1ccncc1NC(=O)Cc1cccc([S+](C)[O-])c1

DAR-DIA-0cde14eb-78
0.458

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Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.456

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Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.455

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Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.455

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Cc1ccncc1NC(=O)CC1CC2CC2C1

MAT-POS-590ac91e-23
0.455

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Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.455

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Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.455

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Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.455

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CCNc1ncc(C#N)cc1CC(=O)Nc1cnccc1C

TRY-UNI-1fd04853-1
0.453

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(C(C)C(N)=O)c1

WIL-MOD-03b86a88-3
0.453

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NS(C)(=O)=O)c1

WIL-MOD-03b86a88-5
0.453

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CCNc1ncc(C#N)cc1CC(=O)Nc1cnccc1C

PET-SGC-175e168c-1
0.453

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Cc1ccncc1NC(=O)Cc1cccc(C2(C)CC2)c1

DAR-DIA-0cde14eb-1
0.452

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Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.452

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Cc1ccncc1NC(=O)Cc1cccc(OC(F)(F)F)c1

ANN-UNI-98d2bf15-5
0.452

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Cc1ccncc1NC(=O)CCSCCS(C)(=O)=O

MAK-UNK-372b0df5-3
0.449

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Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.449

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C=CC(=O)Nc1cnccc1C

MAK-UNK-6ca90168-27
0.448

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NS(N)(=O)=O)c1

WIL-MOD-03b86a88-6
0.447

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Cc1ccncc1NC(=O)Cc1cnn(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-74
0.447

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(S(N)(=O)=O)c1

RAL-THA-6b94ceba-13
0.446

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Cc1ccncc1NC(=O)Cc1ccc2[nH]ncc2c1

VLA-UCB-00f2c2b3-2
0.446

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Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.446

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Cc1ccncc1NC(=O)Cc1ccccc1Cc1ccccn1

THO-SYG-cc9e9a11-1
0.446

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Cc1ccncc1NC(=O)Cc1cccc(C2(F)CC2)c1

DAR-DIA-0cde14eb-2
0.446

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Cc1ccncc1NC(=O)CC1CCCNC1

EDG-MED-0da5ad92-9
0.443

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Cc1ccncc1NC(=O)Cc1cccc2c1CNCC2

ADA-UCB-6c2cb422-4
0.442

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CC(=O)N1CCN(CC(=O)Nc2cnccc2C)CC1

BEN-DND-93268d01-8
0.441

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Cc1ccncc1NC(=O)CC1(C#N)CCC1

MAT-POS-590ac91e-15
0.441

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Cc1ccncc1NC(=O)Cc1cccc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-3
0.440

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CC(=O)NCc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-5
0.440

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(CS(N)(=O)=O)c1

RAL-THA-6b94ceba-15
0.440

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Cc1ccncc1NC(=O)Cc1ccc2[nH]ccc2c1

VLA-UCB-00f2c2b3-1
0.440

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Cc1ccncc1NC(=O)Cc1nc2cccc(C)c2o1

GAB-REV-70cc3ca5-23
0.440

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Cc1ccncc1NC(=O)Cc1cccc(C2(I)CC2)c1

DAR-DIA-0cde14eb-4
0.440

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CCC(F)(F)c1cccc(CC(=O)Nc2cnccc2C)c1

DAR-DIA-0cde14eb-77
0.440

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Cc1ccncc1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1

GAB-REV-70cc3ca5-3
0.438

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Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
0.438

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NCC(C)(C)C#N)c1

MAT-POS-044491d2-7
0.438

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Cc1ccncc1NC(=O)Nc1ccccc1

ALE-HEI-f28a35b5-1
0.438

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NC23CC(C2)C3)c1

MAT-POS-e501d84c-1
0.436

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Cc1ccncc1NC(=O)CC(C)(C)c1ccccc1

BEN-DND-93268d01-13
0.435

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(CNS(C)(=O)=O)c1

RAL-THA-6b94ceba-12
0.434

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CNS(=O)(=O)c1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-14
0.434

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CNS(=O)(=O)Cc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-16
0.434

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Cc1ccncc1NC(=O)Cc1ccc2nc[nH]c2c1

GAB-REV-70cc3ca5-18
0.434

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Cc1ccncc1NC(=O)Cc1nc2ncccc2o1

GAB-REV-70cc3ca5-11
0.434

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Cc1nnc(CC(=O)Nc2cnccc2C)s1

1.000

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Cc1nnc(CC(=O)Nc2ccncc2C)s1

0.810

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CNc1nnc(CC(=O)Nc2cnccc2C)s1

0.756

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COc1ccncc1NC(=O)Cc1nnc(C)s1

0.739

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CSc1ccncc1NC(=O)Cc1nnc(C)s1

0.739

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Cc1nnc(COCC(=O)Nc2cnccc2C)s1

0.723

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Cc1nnc(CC(=O)Nc2cnccc2OC(C)(C)C)s1

0.723

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Cc1nnc(CNC(=O)Nc2cnccc2C)s1

0.711

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Cc1nnc(CC(=O)Nc2ccccc2C)s1

0.698

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Cc1nnc(CCNC(=O)Nc2cnccc2C)s1

0.696

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CCC(CC)Nc1ccncc1NC(=O)Cc1nnc(C)s1

0.694

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Cc1cnc(CC(=O)Nc2cnccc2C)s1

0.689

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Cc1nnc(CNC(=O)C(=O)Nc2cnccc2C)s1

0.681

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Cc1nnc(CC(=O)Nc2ccncc2)s1

0.674

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Cc1nnc(CC(=O)Nc2cc(O)ccc2C)s1

0.674

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Cc1ccc(C)c(NC(=O)Cc2nnc(C)s2)c1

0.667

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Cc1nnc(CC(=O)Nc2cnccc2N2CCN(C)CC2)s1

0.667

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Cc1nnc(CN(C)C(=O)Nc2cnccc2C)s1

0.667

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Cc1nnc(CCCNC(=O)Nc2cnccc2C)s1

0.667

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Cc1nnc(CC(=O)NCc2cnccc2C)s1

0.660

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Cc1nnc(CN(C)C(=O)C(=O)Nc2cnccc2C)s1

0.653

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Cc1nnc(CCNC(=O)C(=O)Nc2cnccc2C)s1

0.653

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Cc1nnc(CC(=O)Nc2cc(Br)ccc2C)s1

0.652

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Cc1nnc(CC(=O)Nc2cc(I)ccc2C)s1

0.652

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Cc1nc(CC(=O)Nc2cnccc2C)c(C)s1

0.652

View
Cc1ncc(CC(=O)Nc2cnccc2C)s1

0.652

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Cc1nnc(CC(=O)Nc2cncc(Br)c2C)s1

0.652

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Cc1nnc(CC(=O)Nc2ccncc2N2CCOCC2)s1

0.647

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Cc1ccncc1NC(=O)Cc1ccc(CC(=O)Nc2cnccc2C)cc1

0.643

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Cc1nnc(CC(=O)Nc2cc(F)ccc2C)s1

0.638

View
Cc1nnc(CC(=O)Nc2cc(Cl)ccc2C)s1

0.638

View
Cc1nnc(CC(=O)Nc2ccc(O)cc2C)s1

0.638

View
Cc1ccncc1NC(=O)Cc1ccc(Br)s1

0.638

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Cc1nc(C)c(CC(=O)Nc2cnccc2C)s1

0.638

View
Cc1nnc(CC(=O)Nc2cnc(Br)cc2C)s1

0.638

View
Cc1nnc(CC(=O)Nc2cscc2C)s1

0.636

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Cc1nnc(CC(=O)NCCc2cnccc2C)s1

0.633

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Cc1nnc(CC(=O)NC(C)c2cnccc2C)s1

0.633

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Cc1nnc(CC(=O)Nc2cccc(C)c2C)s1

0.630

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Cc1ccc(NC(=O)Cc2nnc(C)s2)c(C)c1

0.630

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Cc1ccc(CC(=O)Nc2cnccc2C)s1

0.630

View
Cc1ccncc1NC(=O)Cc1ccncc1

0.628

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Cc1nnc(CCCNC(=O)C(=O)Nc2cnccc2C)s1

0.627

View
Cc1nnc(CC(=O)NCc2ccncc2C)s1

0.625

View
Cc1nnc(CC(=O)Nc2cnc(Cl)cc2C)s1

0.625

View
CC(=O)c1ccc(C)c(NC(=O)Cc2nnc(C)s2)c1

0.625

View
Cc1nnc(C(=O)Nc2cnccc2C)s1

0.622

View
Cc1nnc(CC(=O)Nc2cc(C(=O)N(C)C)ccc2C)s1

0.620

View
Cc1ccncc1NC(=O)Cc1nc(C(C)C)c(C)s1

0.620

View
Cc1nnc(CC(=O)Nc2ccc(I)cc2C)s1

0.617

View
Cc1nnc(CC(=O)Nc2ccc(Br)cc2C)s1

0.617

View
Cc1nnc(CC(=O)Nc2cccnc2C)s1

0.617

View
Cc1nnc(CC(=O)Nc2cccc(C)c2Br)s1

0.617

View
Cc1cnccc1CC(=O)Nc1cnccc1C

0.614

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Cc1nnc(CNc2cnccc2C)s1

0.614

View
Cc1nnc(CC(=O)Nc2cc(C(C)C)ccc2C)s1

0.612

View
Cc1nnc(CC(=O)Nc2cc(CO)ccc2C)s1

0.612

View
CC(=O)Nc1ccc(C)c(NC(=O)Cc2nnc(C)s2)c1

0.612

View
CNc1nnc(CC(=O)Nc2ccncc2C)s1

0.612

View
CSc1ccc(C)c(NC(=O)Cc2nnc(C)s2)c1

0.612

View
Cc1nnc(CC(=O)Nc2cc[nH]n2)s1

0.609

View
Cc1ccncc1NC(=O)Cc1ccc(Br)cc1

0.609

View
Cc1ccncc1NC(=O)Cc1ccc(I)cc1

0.609

View
Cc1nnc(CC(=O)Nc2cc(C)c(C)cc2F)s1

0.609

View
Cc1nnc(CC(=O)Nc2ccc(Cl)cc2C)s1

0.604

View
Cc1nnc(CC(=O)Nc2ccc(F)cc2C)s1

0.604

View
Cc1nnc(CC(=O)Nc2ccc(C)c(O)c2C)s1

0.604

View
Cc1nnc(CC(=O)Nc2ccccc2NC(C)C)s1

0.604

View
Cc1nc(CC(=O)Nc2cnccc2C)cs1

0.604

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Cc1ccncc1NC(=O)Cc1ccc(Cl)s1

0.604

View
Cc1nnc(CC(=O)Nc2cccc(C)c2O)s1

0.604

View
Cc1nnc(CC(=O)Nc2ccc(F)nc2C)s1

0.604

View
Cc1nnc(CC(=O)Nc2cc(-c3ccnn3C)ccc2C)s1

0.604

View
Cc1nnc(CC(=O)Nc2c(C)cccc2C)s1

0.600

View
Cc1nnc(CC(=O)Nc2cc(C(F)(F)F)ccc2C)s1

0.600

View
CNC(=O)c1ccc(C)c(NC(=O)Cc2nnc(C)s2)c1

0.600

View
CCC(=O)Nc1ccc(C)c(NC(=O)Cc2nnc(C)s2)c1

0.600

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

0.600

View
Cc1cc(C)c(CC(=O)Nc2cnccc2C)c(C)c1

0.600

View
Cc1ccncc1NC(=O)Cc1nc(C(F)(F)F)cs1

0.600

View
Cc1ccncc1NC(=O)Cc1cncnc1

0.600

View
Cc1ccncc1NC(=O)Cc1c(C)cccc1C

0.600

View
CCc1csc(CC(=O)Nc2cnccc2C)n1

0.600

View
Cc1nnc(CC(=O)NCCc2ccncc2C)s1

0.600

View
Cc1nnc(CC(=O)NNc2ccncc2Cl)s1

0.600

View
Cc1nnc(CC(=O)Nc2cncnc2C(C)C)s1

0.600

View
Cc1nnc(CC(=O)Nc2ccccc2O)s1

0.596

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Cc1ccncc1NC(=O)Cc1cccs1

0.596

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Cc1ccncc1NC(=O)Cc1ccsc1

0.596

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Cc1ccncc1NC(=O)Cc1cncs1

0.596

View
Cc1ccc(NC(=O)Cc2nnc(C)s2)c(C)n1

0.596

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Cc1nnc(CC(=O)Nc2cc(Br)c(C)cc2C)s1

0.596

View
Cc1nnc(CC(=O)Nc2ccc(Br)c(C)c2C)s1

0.596

View
Cc1nnc(CC(=O)Nc2cnn(C)c2C)s1

0.596

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Cc1nnc(CC(=O)Nc2cc(C)c(C)cc2Cl)s1

0.596

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Cc1nnc(CC(=O)Nc2ccc(I)c(C)c2C)s1

0.596

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Cc1ccncc1NC(=O)CN

0.595

View
Cc1ccncc1NC(=O)CCl

0.595

View
Cc1nnc(CC(=O)Nc2cccnc2O)s1

0.592

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Cc1nnc(CC(=O)Nc2cc(Cl)c(C)cc2Br)s1

0.592

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