Molecule Details

O=C(Cc1ccccc1C(=O)O)Nc1cccnc1
3-aminopyridine-like Enamine Mcule MolPort
Molecular Properties
SMILES:
O=C(Cc1ccccc1C(=O)O)Nc1cccnc1
MW: 256.08
Fraction sp3: 0.07
HBA: 3
HBD: 2
Rotatable Bonds: 4
TPSA: 79.29
cLogP: 1.96
Covalent Warhead:
Covalent Fragment:
Source
Enamine BB: EN300-396872
Mcule: MCULE-9070252676
MolPort: MolPort-044-623-386
c1cnc(N2CCC3(CCOC3)C2)cn1

AAR-POS-0daf6b7e-27

View

O=C(Cc1ccccc1Cl)Nc1cccnc1

MAK-UNK-a7b37c5e-1
0.621

View
O=C(Cc1ccccc1)Nc1cccnc1

SAN-PRS-52b81272-2
0.589

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O=C(Cc1cncnc1)Nc1cccnc1

SAD-SAT-24589cd1-4
0.525

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O=C(Cc1ccc(Cl)cc1)Nc1cccnc1

MAK-UNK-a7b37c5e-4
0.517

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O=C(CC(=O)Nc1cccnc1)Nc1cccnc1

MAR-TRE-67513f76-81
0.509

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O=C(Cc1ccc(F)cc1)Nc1cccnc1

MAK-UNK-a7b37c5e-5
0.508

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O=C(CC(c1ccccc1)c1ccccc1)Nc1cccnc1

AUS-ARG-7cfdce8f-11
0.508

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O=C(Cc1ccsc1)Nc1cccnc1

DAR-DIA-842b4336-10
0.500

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O=C(Cc1cncc(Cl)c1)Nc1cccnc1

DAR-DIA-23aa0b97-16
0.492

View
O=C(CCl)Nc1cccnc1

MAK-UNK-ca11b4f7-1
0.491

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O=C(Cc1cccc(Cl)c1)Nc1cccnc1

EDG-MED-0da5ad92-2
0.484

View
Cn1cc(CC(=O)Nc2cccnc2)cn1

DAR-DIA-842b4336-11
0.484

View
Cc1nnc(CC(=O)Nc2cccnc2)s1

ALE-HEI-f28a35b5-5
0.484

View
Cc1cn(C)c(CC(=O)Nc2cccnc2)c1C(=O)O

MAR-TRE-67513f76-13
0.471

View
N#Cc1cncc(CC(=O)Nc2cccnc2)c1

DAR-DIA-23aa0b97-17
0.471

View
N#Cc1cccc(CC(=O)Nc2cccnc2)c1

ANN-UNI-26382800-5
0.471

View
O=C(Cc1c[nH]c2ncccc12)Nc1cccnc1

KAL-WAB-eb347ebe-1
0.471

View
CCn1cc(C)c(C(=O)O)c1CC(=O)Nc1cccnc1

MAR-TRE-9c797165-94
0.465

View
Cc1ccc(CC(=O)Nc2cccnc2)s1

DAR-DIA-842b4336-12
0.462

View
O=C(Cc1ccc(Cl)s1)Nc1cccnc1

DAR-DIA-842b4336-13
0.462

View
Cc1cnc(CC(=O)Nc2cccnc2)o1

DAR-DIA-842b4336-16
0.455

View
NS(=O)(=O)c1cccc(CC(=O)Nc2cccnc2)c1

CHA-MCP-85291e1d-2
0.443

View
O=C(CCCBr)Nc1cccnc1

ALE-HEI-f28a35b5-14
0.443

View
N#Cc1ccc(CC(=O)Nc2cccnc2)s1

DAR-DIA-842b4336-14
0.441

View
O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11
0.441

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NS(=O)(=O)Cc1cccc(CC(=O)Nc2cccnc2)c1

CHA-MCP-85291e1d-5
0.437

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O=C(Cc1nnc(O)c2ccccc12)Nc1cccnc1

MAR-TRE-74c6519b-55
0.431

View
O=C(C[C@H](NCc1ccccc1)C(=O)O)Nc1cccnc1

MAR-TRE-74c6519b-47
0.429

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N#Cc1cnc(CC(=O)Nc2cccnc2)o1

DAR-DIA-842b4336-15
0.429

View
O=C(Cc1cccc(N2CCCC2=O)c1)Nc1cccnc1

MAR-TRE-2fd8122f-39
0.429

View
CC(=O)NCCc1cccc(CC(=O)Nc2cccnc2)c1

CHA-MCP-85291e1d-1
0.419

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O=C(C[C@H]1CCCC[C@H]1O)Nc1cccnc1

MED-UNK-e6e8ef8a-5
0.418

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CN1CCN([C@@H](CC(=O)Nc2cccnc2)C(=O)O)CC1

MAR-TRE-9c797165-52
0.417

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Cc1cc(C)n2nc(CC(=O)Nc3cccnc3)nc2n1

MAR-TRE-9c797165-14
0.416

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O=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1cccnc1

MAR-TRE-2fd8122f-53
0.415

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Cc1c(CC(=O)Nc2cccnc2)c(=O)oc2cc(O)c(Cl)cc12

MAR-TRE-b77b7921-39
0.415

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O=C(C[C@H](NCc1cccnc1)C(=O)O)Nc1cccnc1

MAR-TRE-d0525fbf-91
0.414

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O=C(CC1(Oc2ccccc2)CC1)Nc1cccnc1

CHR-SOS-70e4c98a-6
0.414

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NCCc1nc(CC(=O)Nc2cccnc2)cs1

MAR-TRE-2fd8122f-99
0.411

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O=C(CC1(c2ccccc2)CCCC1)Nc1cccnc1

CHR-SOS-f7373dd1-4
0.408

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C[C@@H](N)[C@@H](C)C(=O)NCC(=O)Nc1cccnc1

MAR-TRE-7f7bb9f0-49
0.406

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Cn1cc(S(N)(=O)=O)cc1CC(=O)Nc1cccnc1

MAR-TRE-2fd8122f-37
0.405

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O=C(C[C@H]1NC(=O)c2ccccc21)Nc1cccnc1

MAR-TRE-74c6519b-54
0.405

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O=C(NCc1ccccc1S(=O)(=O)N1CCCC1)Nc1cccnc1

SAD-SAT-135344c3-3
0.405

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O=C(CC1CCCCC1)Nc1cccnc1

ALE-HEI-f28a35b5-9
0.403

View
O=C(CC1CCCCC1)Nc1cccnc1

FRA-FAC-9ed5a63a-1
0.403

View
O=C(CC1CCCCC1)Nc1cccnc1

AAR-POS-d2a4d1df-13
0.403

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O=C(CC1(Oc2ccccc2)CCC1)Nc1cccnc1

CHR-SOS-70e4c98a-8
0.403

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O=C(NCCc1ccccc1Cl)Nc1cccnc1

MAK-UNK-d1e89583-8
0.403

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CNCCC(C(=O)Nc1cccnc1)c1ccccc1

ADA-UNI-f8e79267-5
0.403

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O=C(CCS(=O)(=O)Cc1ccccc1)Nc1cccnc1

MAR-TRE-04c86cea-97
0.403

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CC(C)(C)[C@@H](N)C(=O)NCC(=O)Nc1cccnc1

MAR-TRE-67513f76-93
0.400

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C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cccnc1

MED-UNK-e6e8ef8a-4
0.400

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CC(=O)NCCn1cc(CC(=O)Nc2cccnc2)c2ccccc21

DUN-NEW-f8ce3686-9
0.398

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O=C(CC1(Cc2ccccc2)CCCC1)Nc1cccnc1

CHR-SOS-59746812-1
0.397

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O=C(CC1(c2ccccc2)CCCCC1)Nc1cccnc1

CHR-SOS-f7373dd1-1
0.397

View
CC1(CC(=O)Nc2cccnc2)CCCCC1

MED-UNK-e6e8ef8a-6
0.397

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O=C(Nc1cccnc1)N(c1ccccc1)c1ccccc1

WIL-UNI-5578df48-2
0.397

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CC(=O)C(=O)Nc1cccnc1

MAK-UNK-ca11b4f7-3
0.397

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C=CC(=O)Nc1cccnc1

MAK-UNK-ca11b4f7-2
0.397

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COc1ccc(CC(=O)Nc2cccnc2)cc1S(=O)(=O)N1CCOCC1

MAR-TRE-2fd8122f-35
0.395

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O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cccnc1

MAR-TRE-2fd8122f-94
0.395

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CS(=O)(=O)NCC(CC(=O)Nc1cccnc1)c1ccccc1

TAM-UNI-c140e31a-10
0.395

View
O=C(Nc1cccnc1)C(c1ccccc1)N1CCS(=O)(=O)CC1

MAR-TRE-2fd8122f-90
0.395

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N#Cc1ccc(NC(=O)Nc2cccnc2)cc1

JOH-UNK-14e6adc5-2
0.394

View
N#Cc1ccc(NC(=O)Nc2cccnc2)cc1

ANN-UNI-26382800-3
0.394

View
CS(=O)(=O)NC[C@H](C(=O)Nc1cccnc1)c1ccccc1

BEN-DND-362d364a-12
0.392

View
N[C@@H]1CC[C@@H](C(=O)NCC(=O)Nc2cccnc2)C1

MAR-TRE-74c6519b-91
0.392

View
CS(=O)(=O)NCC(C(=O)Nc1cccnc1)c1ccccc1

DRE-WAB-ae4a693c-1
0.392

View
CS(=O)(=O)NCC(C(=O)Nc1cccnc1)c1ccccc1

PET-SGC-b0f8bd49-1
0.392

View
O=C(CC1(Oc2ccccc2)CCCC1)Nc1cccnc1

CHR-SOS-70e4c98a-3
0.392

View
O=C(CC1(Cc2ccccc2)CCCCC1)Nc1cccnc1

CHR-SOS-59746812-5
0.392

View
CNCCOC(C(=O)Nc1cccnc1)c1ccccc1

ADA-UNI-f8e79267-4
0.392

View
CS(=O)(=O)NCC(C(=O)Nc1cccnc1)c1ccccc1

PET-SGC-d0156db4-1
0.392

View
C[C@H]1CC[C@H](CC(=O)Nc2cccnc2)CC1

MED-UNK-e6e8ef8a-3
0.391

View
O=C(C[C@H]1CC[C@@H](F)CC1)Nc1cccnc1

MED-UNK-e6e8ef8a-2
0.391

View
O=C(CC1CCC(F)CC1)Nc1cccnc1

FRA-FAC-9ed5a63a-2
0.391

View
O=C(Nc1cccnc1)Oc1ccccc1

SAN-PRS-52b81272-3
0.391

View
O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)Nc1cccnc1

SAD-SAT-135344c3-1
0.390

View
C[C@H](c1cccnc1)N1CCN(CC(=O)Nc2cccnc2)CC1

MAR-TRE-d0525fbf-64
0.390

View
C[C@H](O)CN1CCN(CC(=O)Nc2cccnc2)CC1

MAR-TRE-67513f76-73
0.389

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O=C(C[C@@]1(C(=O)Nc2cccnc2)CCNC1)Nc1cccnc1

MAR-TRE-7f7bb9f0-46
0.389

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O=C(CNC(=O)[C@@H]1CCCCN1)Nc1cccnc1

MAR-TRE-3e4e6814-62
0.387

View
CNC(=O)COc1ccccc1C(=O)Nc1cccnc1

KEI-TRE-d5e2018a-44
0.387

View
O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cccnc1

MAR-TRE-b77b7921-91
0.387

View
O=C(CC1(c2cccnc2)CCCC1)Nc1cccnc1

CHR-SOS-f7373dd1-5
0.386

View
O=C(C[S+]([O-])CC(=O)Nc1cccnc1)Nc1ccc(Cl)cc1

MAR-TRE-7f7bb9f0-74
0.386

View
O=C(Nc1cccnc1)Nc1ccccc1CS(=O)(=O)F

JIA-UNI-12b1f9ae-1
0.384

View
N#Cc1ccc(CC(C#N)C(=O)Nc2cccnc2)cc1

MAR-TRE-2fd8122f-69
0.384

View
N#Cc1ccc(CNC(=O)N2CCOCC2)c(CC(=O)Nc2cccnc2)c1

SAD-SAT-f25ee457-3
0.382

View
O=C(C[C@H](NCc1ccco1)C(=O)O)Nc1cccnc1

MAR-TRE-9c797165-8
0.382

View
O=C(CC1(Oc2ccccc2)CCCCC1)Nc1cccnc1

CHR-SOS-70e4c98a-1
0.382

View
O=C(C[S+]([O-])CC(=O)Nc1cccnc1)Nc1ccc(F)cc1

MAR-TRE-7f7bb9f0-56
0.380

View
O=C(NC/C=C/Cl)Nc1cccnc1

MAK-UNK-d1e89583-1
0.379

View
O=C(CCC(=O)Nc1cccnc1)NCc1ccco1

MAR-TRE-67513f76-87
0.378

View
Cc1c(CC(=O)Nc2cccnc2)c(=O)oc2cc(O)ccc12

MAR-TRE-04c86cea-41
0.378

View
O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1cccnc1

MAR-TRE-74c6519b-58
0.377

View
CS(=O)(=O)NCCC(C(=O)Nc1cccnc1)c1ccccc1

ADA-UNI-f8e79267-2
0.377

View
Cc1occc1C(=O)Nc1nc(CC(=O)Nc2cccnc2)cs1

MAR-TRE-2fd8122f-26
0.376

View
CCc1ccccc1NC(=O)COc1ccccc1C(=O)Nc1cccnc1

KEI-TRE-d5e2018a-98
0.376

View
O=C(Cc1ccccc1CO)Nc1cccnc1

0.732

View
O=C(Cc1ccccc1O)Nc1cccnc1

0.714

View
COC(=O)c1ccccc1CC(=O)Nc1cccnc1

0.711

View
O=C(Cc1ccccc1Cl)Nc1cccnc1

0.674

View
Cc1ccccc1CC(=O)Nc1cccnc1

0.674

View
O=C(Cc1ccccc1I)Nc1cccnc1

0.674

View
O=C(Cc1ccccc1Br)Nc1cccnc1

0.674

View
CCc1ccccc1CC(=O)Nc1cccnc1

0.674

View
O=C(Cc1ccccc1F)Nc1cccnc1

0.674

View
Nc1ccccc1CC(=O)Nc1cccnc1

0.674

View
CC(C)(C)OC(=O)c1ccccc1CC(=O)Nc1cccnc1

0.667

View
COc1ccccc1CC(=O)Nc1cccnc1

0.644

View
O=C(Cc1cccc2ccccc12)Nc1cccnc1

0.644

View
O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccnc1

0.630

View
CSc1ccccc1CC(=O)Nc1cccnc1

0.630

View
N#CCc1ccccc1CC(=O)Nc1cccnc1

0.630

View
C#Cc1ccccc1CC(=O)Nc1cccnc1

0.630

View
O=C(Cc1ccccc1C(F)(F)F)Nc1cccnc1

0.630

View
CC(=O)Nc1ccccc1CC(=O)Nc1cccnc1

0.630

View
O=C(Cc1ccccc1CO)Nc1ccc(C(=O)Nc2cccnc2)cc1

0.625

View
O=C(Cc1cccc(F)c1F)Nc1cccnc1

0.622

View
O=C(Cc1cccnc1Cl)Nc1cccnc1

0.622

View
O=C(Cc1cccnc1Br)Nc1cccnc1

0.622

View
Cc1ncccc1CC(=O)Nc1cccnc1

0.622

View
CS(=O)c1ccccc1CC(=O)Nc1cccnc1

0.617

View
CS(=O)(=O)c1ccccc1CC(=O)Nc1cccnc1

0.617

View
O=C(Cc1c[nH]c2ccccc12)Nc1cccnc1

0.617

View
O=C(Cc1ccccc1CO)NCC(=O)Nc1cccnc1

0.617

View
O=C(Cc1ccc(O)cc1)Nc1cccnc1

0.614

View
O=C(Cc1ccc(CC(=O)Nc2cccnc2)cc1)Nc1cccnc1

0.610

View
O=C(Cc1cccc(Cl)c1Cl)Nc1cccnc1

0.609

View
COC(=O)c1ccccc1CC(=O)NCC(=O)Nc1cccnc1

0.608

View
O=C(Cc1ccccc1OC(F)F)Nc1cccnc1

0.604

View
O=C(Cc1ccccc1O)NCC(=O)Nc1cccnc1

0.604

View
COC(=O)c1ccccc1CC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1

0.604

View
Cc1cnccc1CC(=O)Nc1cccnc1

0.600

View
Cc1c(CC(=O)Nc2cccnc2)cnn1C

0.596

View
O=C(Cc1cccc2cccnc12)Nc1cccnc1

0.596

View
O=C(Cc1cccnc1)Nc1cccnc1

0.595

View
NCCC(=O)Nc1cccnc1

0.595

View
CC(C)Oc1ccccc1CC(=O)Nc1cccnc1

0.592

View
CS(=O)(=O)Nc1ccccc1CC(=O)Nc1cccnc1

0.592

View
CC(C)OCc1ccccc1CC(=O)Nc1cccnc1

0.592

View
O=C(Cc1ccccc1CO)NCCC(=O)Nc1cccnc1

0.592

View
O=C(Cc1cc(F)c(F)cc1F)Nc1cccnc1

0.587

View
COC(=O)c1ccccc1CC(=O)NCCC(=O)Nc1cccnc1

0.585

View
NC(=O)c1ccccc1CCC(=O)Nc1cccnc1

0.583

View
Cc1c(Br)cccc1CC(=O)Nc1cccnc1

0.583

View
O=C(Cc1cccc(Cl)c1F)Nc1cccnc1

0.583

View
Cc1cccc(CC(=O)Nc2cccnc2)c1Cl

0.583

View
O=C(Cc1c[nH]c2cnccc12)Nc1cccnc1

0.583

View
O=C(Cc1ccncc1)Nc1cccnc1

0.581

View
O=C(Cc1ccccc1OC1CCCC1)Nc1cccnc1

0.580

View
O=C(Cc1cc2ccccc2[nH]c1=O)Nc1cccnc1

0.580

View
O=C(Cc1cccs1)Nc1cccnc1

0.578

View
CC(C)(C)OC(=O)c1ccccc1CC(=O)NCC(=O)Nc1cccnc1

0.574

View
O=C(Cc1ccccc1CO)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1

0.574

View
O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccnc1

0.571

View
Cn1cc(CC(=O)Nc2cccnc2)c2ccccc21

0.571

View
O=C(Cc1ccccc1F)NCC(=O)Nc1cccnc1

0.571

View
O=C(Cc1ccccc1Cl)NCC(=O)Nc1cccnc1

0.571

View
O=C(Cc1ccccc1Br)NCC(=O)Nc1cccnc1

0.571

View
O=C(Cc1coc2ccccc12)Nc1cccnc1

0.571

View
O=C(Cc1ccnc(O)c1Br)Nc1cccnc1

0.571

View
O=C(Cc1ccc(Br)cc1O)Nc1cccnc1

0.571

View
O=C(Cc1ccccc1I)NCC(=O)Nc1cccnc1

0.571

View
CCc1ccccc1CC(=O)NCC(=O)Nc1cccnc1

0.571

View
Cc1ccccc1CC(=O)NCC(=O)Nc1cccnc1

0.571

View
O=C(Cc1ccccc1F)Nc1ccc(C(=O)Nc2cccnc2)cc1

0.569

View
O=C(Cc1ccccc1Cl)Nc1ccc(C(=O)Nc2cccnc2)cc1

0.569

View
Cc1ccccc1CC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1

0.569

View
O=C(Cc1ccccc1Br)Nc1ccc(C(=O)Nc2cccnc2)cc1

0.569

View
CCc1ccccc1CC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1

0.569

View
O=C(Cc1cncnc1)Nc1cccnc1

0.568

View
O=C(Cc1ccccc1Cl)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1

0.566

View
COC(=O)c1ccccc1CC(=O)OCC(=O)Nc1cccnc1

0.566

View
CCc1ccccc1C(=O)Nc1cccnc1

0.565

View
O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccnc1

0.565

View
NCc1ccccc1C(=O)Nc1cccnc1

0.565

View
O=C(O)c1ccccc1CNCc1cccnc1

0.565

View
Cc1ccc(C)c(CC(=O)Nc2cccnc2)c1

0.562

View
O=C(Cc1cc(Cl)ccc1Cl)Nc1cccnc1

0.562

View
O=C(Cc1cc(F)ccc1F)Nc1cccnc1

0.562

View
O=C(Cc1ccc(F)cc1F)Nc1cccnc1

0.562

View
COC(=O)c1ccccc1CC(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1

0.561

View
COC(=O)c1ccccc1CC(=O)Nc1ccccc1OCC(=O)Nc1cccnc1

0.561

View
CCn1cc(CC(=O)Nc2cccnc2)c2ccccc21

0.560

View
CCc1ccccc1C(=O)NCC(=O)Nc1cccnc1

0.560

View
O=C(COC(=O)Cc1ccccc1CO)Nc1cccnc1

0.560

View
O=C(Cc1cccnc1)NCCc1ccccc1C(=O)O

0.560

View
Cc1ccc(-n2c(C)cc(CC(=O)Nc3cccnc3)c2C)cc1

0.558

View
Cc1ccc2c(CC(=O)Nc3cccnc3)c[nH]c2c1

0.558

View
O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1cccnc1

0.558

View
O=C(Cc1c[nH]c2cc(F)ccc12)Nc1cccnc1

0.558

View
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1cccnc1

0.558

View
O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1cccnc1

0.558

View
O=C(CCCCO)Nc1cccnc1

0.556

View
O=C(COc1ccccc1NC(=O)Cc1ccccc1CO)Nc1cccnc1

0.556

View
O=C(O)CCCC(=O)Nc1cccnc1

0.556

View
O=C(O)CCCCC(=O)Nc1cccnc1

0.556

View
O=C(Cc1ccccc1C(=O)O)Nc1cnc2ccccc2c1

0.191

View
O=C(Cc1ccccc1C(=O)O)Nc1ccc(C(F)(F)F)nc1

0.191

View
COc1ncccc1NC(=O)Cc1ccccc1C(=O)O

0.174

View
O=C(Cc1ccccc1C(=O)O)Nc1ccc(C(=O)Nc2cccnc2)cc1

0.171

View
COc1ccc(NC(=O)Cc2ccccc2C(=O)O)cn1

0.169

View
O=C(Cc1ccccc1C(=O)O)Nc1cccnc1Cl

0.137

View
O=C(Cc1ccccc1C(=O)O)Nc1ccc(Cl)nc1

0.118

View
O=C(Cc1ccccc1C(=O)O)Nc1cnccc1O

0.087

View
Cl.O=C(Cc1ccccc1C(=O)O)Nc1cccnc1

0.006

View
C(NC1=CC=CN=C1)(=O)CC1=C(C)C=CC=C1

0.824

View
C(NC1=CC=CN=C1)(=O)CC1=CC=C(C)C=C1C

0.774

View
C(NC1=C(C)C=CN=C1)(=O)CC1=C(C)C=CC=C1

0.771

View
C(NC1=CC=CN=C1)(=O)CC1C(C)=CC=C(C)C=1

0.768

View
C(NC1=CN=C(Cl)C=C1)(=O)CC1=C(C)C=CC=C1

0.760

View

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