6-[4-(1-cyclopentylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-(2-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(3-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide

C189H260F2N42O7 — CID 167563057

IUPAC6-[4-(1-cyclopentylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-(2-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(3-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
SMILESC[C@H](N1CCC(N2CCCN(c3cccc(C(=O)NCc4cccnc4)n3)CC2)CC1)C(C)(F)F.Cc1cc(NC(=O)c2cccc(N3CCCN(C4CCN(C(C)C)CC4)CC3)n2)cc(C)n1.Cc1cc(NC(=O)c2cccc(N3CCCN(C4CCN(C(C)C)CC4)CC3)n2)ccn1.Cc1cc(NC(=O)c2cccc(N3CCCN(C4CCN(Cc5ccccc5C)CC4)CC3)n2)cc(C)n1.Cc1cc(NC(=O)c2cccc(N3CCCN(C4CCN(Cc5ccccc5C)CC4)CC3)n2)ccn1.Cc1cnccc1NC(=O)c1cccc(N2CCCN(C3CCN(C(C)C)CC3)CC2)n1.O=C(Nc1ccncc1)c1cccc(N2CCCN(C3CCN(C4CCCC4)CC3)CC2)n1
InChIInChI=1S/C31H40N6O.C30H38N6O.C26H36F2N6O.C26H36N6O.C26H38N6O.2C25H36N6O/c1-23-8-4-5-9-26(23)22-35-16-12-28(13-17-35)36-14-7-15-37(19-18-36)30-11-6-10-29(34-30)31(38)33-27-20-24(2)32-25(3)21-27;1-23-7-3-4-8-25(23)22-34-17-12-27(13-18-34)35-15-6-16-36(20-19-35)29-10-5-9-28(33-29)30(37)32-26-11-14-31-24(2)21-26;1-20(26(2,27)28)32-14-9-22(10-15-32)33-12-5-13-34(17-16-33)24-8-3-7-23(31-24)25(35)30-19-21-6-4-11-29-18-21;33-26(28-21-9-13-27-14-10-21)24-7-3-8-25(29-24)32-16-4-15-30(19-20-32)23-11-17-31(18-12-23)22-5-1-2-6-22;1-19(2)30-13-9-23(10-14-30)31-11-6-12-32(16-15-31)25-8-5-7-24(29-25)26(33)28-22-17-20(3)27-21(4)18-22;1-19(2)29-14-9-21(10-15-29)30-12-5-13-31(17-16-30)24-7-4-6-23(27-24)25(32)28-22-8-11-26-18-20(22)3;1-19(2)29-14-9-22(10-15-29)30-12-5-13-31(17-16-30)24-7-4-6-23(28-24)25(32)27-21-8-11-26-20(3)18-21/h4-6,8-11,20-21,28H,7,12-19,22H2,1-3H3,(H,32,33,38);3-5,7-11,14,21,27H,6,12-13,15-20,22H2,1-2H3,(H,31,32,37);3-4,6-8,11,18,20,22H,5,9-10,12-17,19H2,1-2H3,(H,30,35);3,7-10,13-14,22-23H,1-2,4-6,11-12,15-20H2,(H,27,28,33);5,7-8,17-19,23H,6,9-16H2,1-4H3,(H,27,28,33);4,6-8,11,18-19,21H,5,9-10,12-17H2,1-3H3,(H,26,28,32);4,6-8,11,18-19,22H,5,9-10,12-17H2,1-3H3,(H,26,27,32)/t;;20-;;;;/m..0..../s1
InChIKeyDXKLMRWLVCEOBF-DMAVYMJQSA-N
MW3270.44 g/mol
LogP27.00
Rot. Bonds39

About 6-[4-(1-cyclopentylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-(2-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(3-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide

6-[4-(1-cyclopentylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-(2-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(3-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide (PubChem CID 167563057) has the molecular formula C189H260F2N42O7 and a molecular weight of 3270.44 g/mol. Its IUPAC name is 6-[4-(1-cyclopentylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-(2-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(3-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(1-cyclopentylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-(2-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(3-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
PubChem CID167563057
Molecular FormulaC189H260F2N42O7
Molecular Weight3270.44 g/mol
Exact Mass3268.12
IUPAC Name6-[4-(1-cyclopentylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-(2-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(3-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
SMILESC[C@H](N1CCC(N2CCCN(c3cccc(C(=O)NCc4cccnc4)n3)CC2)CC1)C(C)(F)F.Cc1cc(NC(=O)c2cccc(N3CCCN(C4CCN(C(C)C)CC4)CC3)n2)cc(C)n1.Cc1cc(NC(=O)c2cccc(N3CCCN(C4CCN(C(C)C)CC4)CC3)n2)ccn1.Cc1cc(NC(=O)c2cccc(N3CCCN(C4CCN(Cc5ccccc5C)CC4)CC3)n2)cc(C)n1.Cc1cc(NC(=O)c2cccc(N3CCCN(C4CCN(Cc5ccccc5C)CC4)CC3)n2)ccn1.Cc1cnccc1NC(=O)c1cccc(N2CCCN(C3CCN(C(C)C)CC3)CC2)n1.O=C(Nc1ccncc1)c1cccc(N2CCCN(C3CCN(C4CCCC4)CC3)CC2)n1
InChIInChI=1S/C31H40N6O.C30H38N6O.C26H36F2N6O.C26H36N6O.C26H38N6O.2C25H36N6O/c1-23-8-4-5-9-26(23)22-35-16-12-28(13-17-35)36-14-7-15-37(19-18-36)30-11-6-10-29(34-30)31(38)33-27-20-24(2)32-25(3)21-27;1-23-7-3-4-8-25(23)22-34-17-12-27(13-18-34)35-15-6-16-36(20-19-35)29-10-5-9-28(33-29)30(37)32-26-11-14-31-24(2)21-26;1-20(26(2,27)28)32-14-9-22(10-15-32)33-12-5-13-34(17-16-33)24-8-3-7-23(31-24)25(35)30-19-21-6-4-11-29-18-21;33-26(28-21-9-13-27-14-10-21)24-7-3-8-25(29-24)32-16-4-15-30(19-20-32)23-11-17-31(18-12-23)22-5-1-2-6-22;1-19(2)30-13-9-23(10-14-30)31-11-6-12-32(16-15-31)25-8-5-7-24(29-25)26(33)28-22-17-20(3)27-21(4)18-22;1-19(2)29-14-9-21(10-15-29)30-12-5-13-31(17-16-30)24-7-4-6-23(27-24)25(32)28-22-8-11-26-18-20(22)3;1-19(2)29-14-9-22(10-15-29)30-12-5-13-31(17-16-30)24-7-4-6-23(28-24)25(32)27-21-8-11-26-20(3)18-21/h4-6,8-11,20-21,28H,7,12-19,22H2,1-3H3,(H,32,33,38);3-5,7-11,14,21,27H,6,12-13,15-20,22H2,1-2H3,(H,31,32,37);3-4,6-8,11,18,20,22H,5,9-10,12-17,19H2,1-2H3,(H,30,35);3,7-10,13-14,22-23H,1-2,4-6,11-12,15-20H2,(H,27,28,33);5,7-8,17-19,23H,6,9-16H2,1-4H3,(H,27,28,33);4,6-8,11,18-19,21H,5,9-10,12-17H2,1-3H3,(H,26,28,32);4,6-8,11,18-19,22H,5,9-10,12-17H2,1-3H3,(H,26,27,32)/t;;20-;;;;/m..0..../s1
InChIKeyDXKLMRWLVCEOBF-DMAVYMJQSA-N
XLogP27.00
TPSA452.20 Ų
H-Bond Donors7
H-Bond Acceptors42
Rotatable Bonds39
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003270.44
LogP ≤ 527.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1042

Analyze 6-[4-(1-cyclopentylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-(2-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(3-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[4-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 56962044
6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 167610792
6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 167643277
1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 31042688
N-pyridin-4-yl-6-[4-[4-[2-(trifluoromethyl)butanimidoyl]cyclohexyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 174703433
N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide
CID 140802572
1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 26403658
1-[1-[(2R)-4-methylpentan-2-yl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 31017449
6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053589
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 42517374
6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098258
6-methyl-N-(2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329896

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-cyclopentylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-(2-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(3-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-(1-cyclopentylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-(2-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(3-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide (CID 167563057) is 6-[4-(1-cyclopentylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-(2-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(3-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(1-cyclopentylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-(2-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(3-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(1-cyclopentylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-(2-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(3-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide is C[C@H](N1CCC(N2CCCN(c3cccc(C(=O)NCc4cccnc4)n3)CC2)CC1)C(C)(F)F.Cc1cc(NC(=O)c2cccc(N3CCCN(C4CCN(C(C)C)CC4)CC3)n2)cc(C)n1.Cc1cc(NC(=O)c2cccc(N3CCCN(C4CCN(C(C)C)CC4)CC3)n2)ccn1.Cc1cc(NC(=O)c2cccc(N3CCCN(C4CCN(Cc5ccccc5C)CC4)CC3)n2)cc(C)n1.Cc1cc(NC(=O)c2cccc(N3CCCN(C4CCN(Cc5ccccc5C)CC4)CC3)n2)ccn1.Cc1cnccc1NC(=O)c1cccc(N2CCCN(C3CCN(C(C)C)CC3)CC2)n1.O=C(Nc1ccncc1)c1cccc(N2CCCN(C3CCN(C4CCCC4)CC3)CC2)n1.
What is the InChIKey of 6-[4-(1-cyclopentylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-(2-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(3-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide?
The InChIKey is DXKLMRWLVCEOBF-DMAVYMJQSA-N. The full InChI is InChI=1S/C31H40N6O.C30H38N6O.C26H36F2N6O.C26H36N6O.C26H38N6O.2C25H36N6O/c1-23-8-4-5-9-26(23)22-35-16-12-28(13-17-35)36-14-7-15-37(19-18-36)30-11-6-10-29(34-30)31(38)33-27-20-24(2)32-25(3)21-27;1-23-7-3-4-8-25(23)22-34-17-12-27(13-18-34)35-15-6-16-36(20-19-35)29-10-5-9-28(33-29)30(37)32-26-11-14-31-24(2)21-26;1-20(26(2,27)28)32-14-9-22(10-15-32)33-12-5-13-34(17-16-33)24-8-3-7-23(31-24)25(35)30-19-21-6-4-11-29-18-21;33-26(28-21-9-13-27-14-10-21)24-7-3-8-25(29-24)32-16-4-15-30(19-20-32)23-11-17-31(18-12-23)22-5-1-2-6-22;1-19(2)30-13-9-23(10-14-30)31-11-6-12-32(16-15-31)25-8-5-7-24(29-25)26(33)28-22-17-20(3)27-21(4)18-22;1-19(2)29-14-9-21(10-15-29)30-12-5-13-31(17-16-30)24-7-4-6-23(27-24)25(32)28-22-8-11-26-18-20(22)3;1-19(2)29-14-9-22(10-15-29)30-12-5-13-31(17-16-30)24-7-4-6-23(28-24)25(32)27-21-8-11-26-20(3)18-21/h4-6,8-11,20-21,28H,7,12-19,22H2,1-3H3,(H,32,33,38);3-5,7-11,14,21,27H,6,12-13,15-20,22H2,1-2H3,(H,31,32,37);3-4,6-8,11,18,20,22H,5,9-10,12-17,19H2,1-2H3,(H,30,35);3,7-10,13-14,22-23H,1-2,4-6,11-12,15-20H2,(H,27,28,33);5,7-8,17-19,23H,6,9-16H2,1-4H3,(H,27,28,33);4,6-8,11,18-19,21H,5,9-10,12-17H2,1-3H3,(H,26,28,32);4,6-8,11,18-19,22H,5,9-10,12-17H2,1-3H3,(H,26,27,32)/t;;20-;;;;/m..0..../s1.
What are the key properties of 6-[4-(1-cyclopentylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-(2-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(3-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide?
6-[4-(1-cyclopentylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-(2-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(3-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide has a molecular weight of 3270.44 g/mol, XLogP of 27.00, 39 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-cyclopentylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(2,6-dimethyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;6-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-(2-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide;N-(3-methyl-4-pyridinyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167563057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).