Molecule Details

N#Cc1cncc(NC(=O)Cc2cccnc2)c1
3-aminopyridine-like Assayed
View on Fragalysis x10178
Molecular Properties
SMILES:
N#Cc1cncc(NC(=O)Cc2cccnc2)c1
MW: 238.25
Fraction sp3: 0.08
HBA: 4
HBD: 1
Rotatable Bonds: 3
TPSA: 78.67
cLogP: 1.52948
Covalent Warhead: ✔️
Covalent Fragment:
Activity Data
Average Inhibition @ 20 µM - Fluorescence: 0.2160645
Average Inhibition @ 50 µM - Fluorescence: -0.0609150000000001
Order Status
Ordered: 2020-03-31
Synthesis Location: enamine
Shipped: 2020-05-26
CC(=O)NCCc1c[nH]c2ccc(F)cc12

AAR-POS-d2a4d1df-2

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CCNc1ccc(C#N)cn1

AAR-POS-d2a4d1df-5

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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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Nc1cncnc1

AAR-POS-d2a4d1df-18

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

AAR-POS-d2a4d1df-20

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N#Cc1ccc(CNC(=O)N2CCOCC2)cc1

AAR-POS-d2a4d1df-21

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N#Cc1cccc(NC(=O)Cc2cccnc2)c1

DAR-DIA-23aa0b97-4
0.619

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N#Cc1cncc(NC(=O)Cc2cncc(N)c2)c1

DAR-DIA-23aa0b97-7
0.609

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N#Cc1cncc(NC(=O)Cc2cnccn2)c1

BEN-DND-61647d40-21
0.594

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

DAR-DIA-23aa0b97-17
0.585

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N#Cc1cncc(NC(=O)Nc2cccnc2)c1

CHR-SOS-363cfb78-1
0.581

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N#Cc1cncc(NC(=O)Cc2c[nH]c3ncccc23)c1

DAR-DIA-23aa0b97-2
0.554

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C=C(C(=O)Nc1cncc(C#N)c1)c1cccnc1

BEN-DND-61647d40-10
0.552

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N#Cc1cncc(NC(=O)Cc2cncc3cnccc23)c1

BEN-DND-61647d40-5
0.542

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N#Cc1cncc(NC(=O)Cc2cncc3ccncc23)c1

BEN-DND-61647d40-6
0.534

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N#Cc1ccc(O)c(NC(=O)Cc2cccnc2)c1

BEN-DND-61647d40-8
0.522

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N#Cc1cnc(O)c(NC(=O)Cc2cccnc2)c1

BEN-DND-61647d40-7
0.522

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N#Cc1cncc(NC(=O)[C@@]2(c3cccnc3)CO2)c1

BEN-DND-61647d40-9
0.500

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

ANN-UNI-26382800-5
0.493

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N#C/N=C(/Nc1cccnc1)Nc1cncc(C#N)c1

JAN-UNI-2e92c4b1-2
0.493

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N#Cc1ccccc1NC(=O)Cc1cccnc1

ANT-DIA-3c79be55-2
0.478

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N#Cc1cncc(NC(=O)Cn2c(=O)[nH]c3ccccc32)c1

BEN-DND-61647d40-4
0.463

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N#Cc1cncc(Nc2c(Nc3cccnc3)c(=O)c2=O)c1

JAN-UNI-2e92c4b1-1
0.449

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N#Cc1cncc(NC(=O)Cn2ncc3ccccc32)c1

BEN-DND-61647d40-1
0.449

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Cc1ccncc1NC(=O)Nc1cncc(C#N)c1

CHR-SOS-363cfb78-2
0.444

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N#Cc1cncc(NC(=O)Cn2cnc3ccccc32)c1

BEN-DND-61647d40-3
0.443

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N#Cc1cncc(NC(=O)Nc2cncc(N)c2)c1

DAR-DIA-23aa0b97-9
0.439

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N#Cc1cncc(NC(=O)Cn2nnc3ccccc32)c1

BEN-DND-61647d40-2
0.438

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O=C(Cc1cccnc1)Nc1cccc(OC2CC(=O)N2)c1

RAL-MED-2de63afb-1
0.429

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O=C(Cc1cncc(Cl)c1)Nc1cccnc1

DAR-DIA-23aa0b97-16
0.426

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O=C(Cc1cccnc1)Nc1cccc(OC2CC(=NO)C2)c1

ANT-OPE-6e66bf84-1
0.425

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N#Cc1cncc(NC(=O)Nc2c[nH]c3ncccc23)c1

DAR-DIA-23aa0b97-10
0.425

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O=C(Cc1ccccc1)Nc1cccnc1

SAN-PRS-52b81272-2
0.415

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CON=C1CC(Oc2cccc(NC(=O)Cc3cccnc3)c2)C1

ANT-OPE-6e66bf84-2
0.415

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O=C(Cc1cncnc1)Nc1cccnc1

SAD-SAT-24589cd1-4
0.409

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O=C(Cc1cccnc1)Nc1cc(Cl)ccc1O

BEN-DND-61647d40-18
0.403

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O=C(Cc1cccc(Cl)c1)Nc1cccnc1

EDG-MED-0da5ad92-2
0.400

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O=C(Cc1cccnc1)Nc1cc(Cl)cnc1O

BEN-DND-61647d40-17
0.397

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N#Cc1cccc(NC(=O)Cc2cncc(N)c2)c1

DAR-DIA-23aa0b97-3
0.395

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

TRY-UNI-2eddb1ff-1
0.395

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O=C(Cc1cccnc1)NCc1ccccc1

NAU-LAT-64f4b287-9
0.388

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

DAR-DIA-842b4336-14
0.384

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

MAR-TRE-67513f76-81
0.383

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O=C(Cc1ccc(Cl)cc1)Nc1cccnc1

MAK-UNK-a7b37c5e-4
0.382

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

CHA-MCP-85291e1d-5
0.382

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

MAR-TRE-d0525fbf-91
0.378

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

ANN-UNI-26382800-3
0.377

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

JOH-UNK-14e6adc5-2
0.377

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O=C(Cc1ccc(F)cc1)Nc1cccnc1

MAK-UNK-a7b37c5e-5
0.377

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N#Cc1cccc(NC(=O)Nc2cccnc2)c1

JOR-UNI-61e7b1d5-2
0.375

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N#Cc1cccc(NC(=O)Nc2cccnc2)c1

WAR-XCH-eb7b662f-1
0.375

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N#Cc1cccc(NC(=O)Nc2cccnc2)c1

DAR-DIA-23aa0b97-5
0.375

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N#Cc1cccc(NC(=O)Nc2cccnc2)c1

ANN-UNI-26382800-4
0.375

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

DAR-DIA-842b4336-15
0.373

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O=C(Cc1ccsc1)Nc1cccnc1

DAR-DIA-842b4336-10
0.371

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

CHA-MCP-85291e1d-2
0.368

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N#Cc1ccc(NCc2cncc(NC(=O)Nc3ccccc3)c2)nc1

MAK-UNK-30aad1f1-3
0.366

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Cc1cncc(NC(=O)Cc2cccc(Cl)c2)c1

EDG-MED-0da5ad92-12
0.365

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Cn1cc(CC(=O)Nc2cccnc2)cn1

DAR-DIA-842b4336-11
0.361

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Cc1nnc(CC(=O)Nc2cccnc2)s1

ALE-HEI-f28a35b5-5
0.361

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N#Cc1cc(Cl)cc(NC(=O)Nc2cccnc2)c1

WAR-XCH-eb7b662f-2
0.360

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C#Cc1cccc(NC(=O)CC(=O)Nc2cccnc2)c1

MAR-TRE-2fd8122f-57
0.360

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N#Cc1cccc(CC(=O)Nc2cnccc2C#N)c1

SAD-SAT-24589cd1-5
0.359

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O=C(Cc1ccccc1C(=O)O)Nc1cccnc1

MAK-UNK-a7b37c5e-2
0.356

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N#Cc1cccc(CC(=O)Nc2cnccc2[N+](=O)[O-])c1

SAD-SAT-24589cd1-1
0.354

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N#Cc1ccc(NCc2ccc(NC(=O)Nc3cccnc3)cc2)nc1

MAK-UNK-30aad1f1-7
0.353

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N#Cc1cccc(NC(=O)Cc2cncc3ncccc23)c1

DAR-DIA-23aa0b97-18
0.353

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N#Cc1ccc(NCc2cccc(NC(=O)Nc3cccnc3)c2)nc1

MAK-UNK-30aad1f1-6
0.352

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

MAR-TRE-2fd8122f-69
0.351

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Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1

GAB-REV-70cc3ca5-13
0.351

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

CHA-MCP-85291e1d-1
0.350

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O=C(CCl)Nc1cccnc1

MAK-UNK-ca11b4f7-1
0.349

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O=C(Cc1ccccc1Cl)Nc1cccnc1

MAK-UNK-a7b37c5e-1
0.347

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N#Cc1cccc(CC(=O)Nc2cnccc2CN)c1

SAD-SAT-24589cd1-8
0.346

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N#Cc1cccnc1

MAK-UNK-ca11b4f7-4
0.345

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Cc1nc2c(C#N)cnn2c(O)c1CC(=O)Nc1cccnc1

MAR-TRE-2fd8122f-46
0.345

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O=C(Nc1cccnc1)Nc1cncc(Cl)c1

DAR-DIA-23aa0b97-15
0.343

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Cc1ccc(CC(=O)Nc2cccnc2)s1

DAR-DIA-842b4336-12
0.342

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O=C(Cc1ccc(Cl)s1)Nc1cccnc1

DAR-DIA-842b4336-13
0.342

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N#Cc1ccc(Nc2cncc(NC(=O)Nc3ccccc3)c2)nc1

MAK-UNK-30aad1f1-16
0.341

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CCNc1ncc(C#N)cc1NC(=O)Nc1cccnc1

JOR-UNI-61e7b1d5-1
0.341

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O=C(CC1(Cc2cccnc2)CCCC1)Nc1cccnc1

CHR-SOS-59746812-2
0.338

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

TRY-UNI-714a760b-20
0.338

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N#Cc1ccc(NCc2ccccc2NC(=O)Nc2cccnc2)nc1

MAK-UNK-30aad1f1-1
0.337

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N#Cc1cc(NC(=O)Cc2cncc3ccccc23)cc(Oc2cccnc2)c1

ERI-UCB-ce40166b-12
0.337

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O=C(CC1(Cc2cccnc2)CCCCC1)Nc1cccnc1

CHR-SOS-59746812-6
0.333

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O=C(CC1(c2cccnc2)CCCC1)Nc1cccnc1

CHR-SOS-f7373dd1-5
0.333

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

MAR-TRE-04c86cea-97
0.333

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N#Cc1cc(NC(=O)Cc2cncnc2)cc(OC2CC(=O)N2)c1

TRY-UNI-bbd40bb4-1
0.329

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

MAR-TRE-2fd8122f-39
0.329

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Cc1c(N)cncc1NC(=O)Cc1cccc(C#N)c1

TRY-UNI-714a760b-19
0.329

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N#Cc1ccc(Nc2ccc(NC(=O)Nc3cccnc3)cc2)nc1

MAK-UNK-30aad1f1-12
0.329

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

MAK-UNK-6ca90168-23
0.329

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

SAD-SAT-f25ee457-3
0.326

View
CCNC1CCC(C#N)CC1CC(=O)Nc1cccnc1

SAD-SAT-cefd50cc-6
0.326

View
Cc1cccc(CC(=O)Nc2cnccc2C#N)c1

ALP-POS-95b75b4d-9
0.325

View
N#Cc1cccc(NC(=O)Nc2cncc(N)c2)c1

DAR-DIA-23aa0b97-8
0.325

View
N#Cc1c[nH]nc1Cc1cccnc1

STE-UNK-dfade101-1
0.324

View
N#Cc1cccnc1NCc1cccnc1

MAR-TRE-0fda4e82-32
0.324

View
N#Cc1cccc(N(CN2CCOCC2)C(=O)Nc2cccnc2)c1

JOR-UNI-61e7b1d5-3
0.323

View
N#Cc1cccc(N(CCC2CC2)C(=O)Nc2cccnc2)c1

JOR-UNI-61e7b1d5-9
0.322

View
N#Cc1cccc(N(CCC(=N)N)C(=O)Nc2cccnc2)c1

JOR-UNI-61e7b1d5-7
0.322

View
CS(=O)(=O)c1ccncc1NC(=O)Cc1cccc(C#N)c1

SAD-SAT-24589cd1-3
0.321

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

WIL-UNI-5578df48-15
0.321

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

MAR-TRE-74c6519b-47
0.321

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Cc1cnc(CC(=O)Nc2cccnc2)o1

DAR-DIA-842b4336-16
0.320

View
N#Cc1cccc(NC(=O)Cc2cccnc2)c1

0.773

View
N#Cc1ccc(NC(=O)Cc2cccnc2)cc1

0.744

View
N#Cc1ccc(NC(=O)Cc2cccnc2)cc1C#N

0.696

View
N#Cc1cncc(S(=O)(=O)NC(=O)Cc2cccnc2)c1

0.694

View
O=C(Cc1cccnc1)Nc1cncc(F)c1

0.689

View
O=C(Cc1cccnc1)Nc1cncc(Br)c1

0.689

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Cc1cncc(NC(=O)Cc2cccnc2)c1

0.689

View
O=C(Cc1cccnc1)Nc1cccnc1

0.683

View
N#Cc1cncc(S(=O)(=O)NNC(=O)Cc2cccnc2)c1

0.680

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

0.667

View
N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3cccnc3)c2)c1

0.667

View
C#Cc1cccc(NC(=O)Cc2cccnc2)c1

0.660

View
N#Cc1ccc(NC(=O)Cc2cccnc2)cn1

0.660

View
N#Cc1ccc(NC(=O)Cc2cccnc2)cc1Cl

0.653

View
N#Cc1cc(NC(=O)Cc2cccnc2)ccc1Cl

0.653

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N#Cc1cc(NC(=O)Cc2cccnc2)ccc1F

0.653

View
N#Cc1ccc(NC(=O)Cc2cccnc2)cc1F

0.653

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N#Cc1ccc(Oc2ccc(NC(=O)Cc3cccnc3)cc2)cc1

0.653

View
N#Cc1ccc(NC(=O)Cc2cccnc2)cc1Br

0.653

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N#Cc1cccc(NNC(=O)Cc2cccnc2)c1

0.653

View
O=C(Cc1cccnc1)Nc1cccc(NC(=O)Cc2cccnc2)c1

0.651

View
O=C(Cc1cccnc1)Nc1cncnc1

0.651

View
N#Cc1cccc(NC(=O)NNC(=O)Cc2cccnc2)c1

0.647

View
N#Cc1cccc(COc2ccc(NC(=O)Cc3cccnc3)cc2)c1

0.642

View
CNc1ccc(C#N)cc1NC(=O)Cc1cccnc1

0.640

View
N#CCc1ccc(NC(=O)Cc2cccnc2)cc1

0.638

View
N#Cc1ccc(NC(=O)Cc2cccnc2)nc1

0.638

View
N#Cc1cccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)c1

0.635

View
O=C(Cc1cccnc1)Nc1cccc(C#Cc2ccccc2)c1

0.633

View
N#Cc1ccc(CC(=O)NNC(=O)Cc2cccnc2)cc1

0.630

View
O=C(Cc1cccnc1)Nc1ccncc1

0.628

View
O=C(Cc1cccnc1)Nc1ccccc1

0.628

View
N#Cc1ccc(NNC(=O)Cc2cccnc2)cc1

0.625

View
N#Cc1cccc(Oc2ccc(NC(=O)Cc3cccnc3)cc2)c1

0.623

View
N#Cc1ccc(Oc2cccc(NC(=O)Cc3cccnc3)c2)cc1

0.623

View
Nc1ccc(NC(=O)Cc2cccnc2)cc1

0.622

View
N#CCOc1ccc(NC(=O)Cc2cccnc2)cc1

0.620

View
N#Cc1ccc(NC(=O)Cc2cccnc2)c(Cl)c1

0.620

View
Cc1ccc(C#N)cc1NC(=O)Cc1cccnc1

0.620

View
COC(=O)c1cncc(NC(=O)Cc2cccnc2)c1

0.620

View
N#Cc1cccc(NC(=O)CCc2cccnc2)c1

0.620

View
N#Cc1ccc(O)c(NC(=O)Cc2cccnc2)c1

0.620

View
N#Cc1ccc(NC(=O)NNC(=O)Cc2cccnc2)cc1

0.620

View
N#Cc1ccccc1NC(=O)Cc1cccnc1

0.617

View
N#Cc1cnccc1NC(=O)Cc1cccnc1

0.617

View
N#Cc1ccc(NC(=O)Cc2cccnc2)cc1C(F)(F)F

0.615

View
N#Cc1cccc(CNC(=O)Cc2cccnc2)c1

0.612

View
Cc1cc(C)cc(NC(=O)Cc2cccnc2)c1

0.609

View
O=C(Cc1cccnc1)Nc1cc(F)cc(F)c1

0.609

View
O=C(Cc1cccnc1)Nc1cc(F)cc(NC(=O)Cc2cccnc2)c1

0.609

View
O=C(Cc1cccnc1)Nc1cc(Cl)cc(Cl)c1

0.609

View
CCCOc1cncc(NC(=O)Cc2cccnc2)c1

0.608

View
N#Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)cc1

0.608

View
Nc1c(Cl)cc(NC(=O)Cc2cccnc2)cc1Cl

0.604

View
N#Cc1ccc(CNC(=O)Cc2cccnc2)cc1

0.604

View
O=C(O)Cc1cccc(NC(=O)Cc2cccnc2)c1

0.604

View
N#Cc1ccc(CC(=O)Nc2cnn(Cc3cccnc3)c2)cc1

0.604

View
CC(C)(C)Oc1ccc(NC(=O)Cc2cccnc2)cc1C#N

0.604

View
N#Cc1cccc(NC(=O)Cc2cccc(OCc3cccnc3)c2)c1

0.600

View
N#Cc1cccc(COc2cccc(NC(=O)Cc3cccnc3)c2)c1

0.600

View
N#Cc1cccc(NC(=O)CSCc2cccnc2)c1

0.596

View
N#Cc1ccc(CC(=O)Nc2ccc(SCc3cccnc3)cc2)cc1

0.596

View
N#Cc1cncc(S(=O)(=O)NCC(=O)Nc2cccnc2)c1

0.596

View
O=C(Cc1cccnc1)Nc1cccc(Br)c1

0.596

View
O=C(Cc1cccnc1)Nc1cc(Cl)nc(Cl)c1

0.596

View
O=C(Cc1cccnc1)Nc1cccc(I)c1

0.596

View
O=C(Cc1cccnc1)Nc1cc(F)c(F)c(F)c1

0.596

View
O=C(O)Cc1ccc(NC(=O)Cc2cccnc2)cc1

0.596

View
Nc1cccc(CC(=O)Nc2cccnc2)c1

0.596

View
CC(C)Oc1ccc(NC(=O)Cc2cccnc2)cc1C#N

0.593

View
N#Cc1cc(NC(=O)Cc2cccnc2)ccc1Oc1ccccc1

0.593

View
N#Cc1cc(NC(=O)Cc2cccnc2)ccc1OC(F)(F)F

0.593

View
N#Cc1ccc(NC(=O)CCc2cccnc2)cc1

0.592

View
N#Cc1ccsc1NC(=O)Cc1cccnc1

0.592

View
O=C(Cc1cccnc1)Nc1cnc2ccccc2c1

0.592

View
O=C(Cc1cccnc1)Nc1cnc(Br)c(Br)c1

0.592

View
N#Cc1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1

0.592

View
N#Cc1cccc(NC(=O)CON=C(N)Cc2cccnc2)c1

0.589

View
N#Cc1cc(F)ccc1NC(=O)Cc1cccnc1

0.588

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

0.588

View
N#Cc1cc(F)c(C(=O)NNC(=O)Cc2cccnc2)c(F)c1

0.588

View
N#Cc1cccc(CCNC(=O)Cc2cccnc2)c1

0.588

View
N#CCn1cc(NC(=O)Cc2cccnc2)cn1

0.588

View
N#Cc1nc(NC(=O)Cc2cccnc2)[nH]c1C#N

0.588

View
Cc1n[nH]c(NC(=O)Cc2cccnc2)c1C#N

0.588

View
N#Cc1cccc(C(=O)NNC(=O)Cc2cccnc2)c1

0.588

View
N#Cc1ccc(NCC(=O)NNC(=O)Cc2cccnc2)cc1

0.588

View
N#Cc1c[nH]c(C(=O)NNC(=O)Cc2cccnc2)c1

0.588

View
N#Cc1cccc(CS(=O)(=O)NC(=O)Cc2cccnc2)c1

0.588

View
O=C(Cc1cccnc1)Nc1ccc(F)cc1

0.587

View
Cc1ccc(NC(=O)Cc2cccnc2)cc1

0.587

View
CCC(=O)Nc1ccc(NC(=O)Cc2cccnc2)cc1

0.587

View
O=C(Cc1cccnc1)Nc1ccc(Cl)cc1

0.587

View
O=C(Cc1cccnc1)Nc1ccc(Br)cc1

0.587

View
O=C(Cc1cccnc1)Nc1ccc(I)cc1

0.587

View
O=C(Cc1cccnc1)Nc1ccc(O)cc1

0.587

View
NC(=O)Nc1ccc(NC(=O)Cc2cccnc2)cc1

0.587

View
CC(=O)Nc1ccc(NC(=O)Cc2cccnc2)cc1

0.587

View
O=C(Cc1cccnc1)Nc1ccsc1

0.587

View
N#CCOc1cccc(NC(=O)Cc2cccnc2)c1

0.585

View

C(NC1=CN=CC(C#N)=C1C)(=O)CC1=CC=CN=C1

0.839

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

0.829

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

0.767

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

0.762

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

0.753

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