6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

C215H275Cl11N42O21S8 — CID 159769269

IUPAC6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCCONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.COCCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.COCCNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.Cc1cc(C#N)[n+]([O-])c(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ccon2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ccccn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cc2ccccn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cc2cccnc2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cc2ccncc2)CC1
InChIInChI=1S/3C28H33Cl2N5O2S.C28H35ClN6O2S.C27H33N7O4S.C26H38ClN5O3S.C25H34Cl2N4O3S.C25H36ClN5O3S/c1-19-15-24(29)33-27(30)26(19)28(37)32-11-3-20(2)34-12-6-23(7-13-34)35(17-22-8-14-38-18-22)25(36)16-21-4-9-31-10-5-21;1-19-14-24(29)33-27(30)26(19)28(37)32-10-5-20(2)34-11-6-23(7-12-34)35(17-22-8-13-38-18-22)25(36)15-21-4-3-9-31-16-21;1-19-15-24(29)33-27(30)26(19)28(37)32-11-6-20(2)34-12-7-23(8-13-34)35(17-21-9-14-38-18-21)25(36)16-22-5-3-4-10-31-22;1-19-16-24(29)32-21(3)26(19)27(36)31-12-7-20(2)34-13-8-23(9-14-34)35(17-22-10-15-38-18-22)28(37)33-25-6-4-5-11-30-25;1-18-14-23(15-28)34(37)20(3)25(18)26(35)29-9-4-19(2)32-10-5-22(6-11-32)33(16-21-8-13-39-17-21)27(36)30-24-7-12-38-31-24;1-18-15-23(27)30-20(3)24(18)25(33)28-9-5-19(2)31-11-6-22(7-12-31)32(16-21-8-14-36-17-21)26(34)29-10-13-35-4;1-17-14-21(26)29-24(27)23(17)25(33)28-9-4-18(2)30-10-5-20(6-11-30)31(22(32)7-12-34-3)15-19-8-13-35-16-19;1-5-34-29-25(33)31(15-20-9-13-35-16-20)21-7-11-30(12-8-21)18(3)6-10-27-24(32)23-17(2)14-22(26)28-19(23)4/h4-5,8-10,14-15,18,20,23H,3,6-7,11-13,16-17H2,1-2H3,(H,32,37);3-4,8-9,13-14,16,18,20,23H,5-7,10-12,15,17H2,1-2H3,(H,32,37);3-5,9-10,14-15,18,20,23H,6-8,11-13,16-17H2,1-2H3,(H,32,37);4-6,10-11,15-16,18,20,23H,7-9,12-14,17H2,1-3H3,(H,31,36)(H,30,33,37);7-8,12-14,17,19,22H,4-6,9-11,16H2,1-3H3,(H,29,35)(H,30,31,36);8,14-15,17,19,22H,5-7,9-13,16H2,1-4H3,(H,28,33)(H,29,34);8,13-14,16,18,20H,4-7,9-12,15H2,1-3H3,(H,28,33);9,13-14,16,18,21H,5-8,10-12,15H2,1-4H3,(H,27,32)(H,29,33)/t4*20-;2*19-;2*18-/m11111111/s1
InChIKeyNFXDWXBQLMRNIL-AFCUMKQXSA-N
MW4430.36 g/mol
LogP38.86
Rot. Bonds80

About 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 159769269) has the molecular formula C215H275Cl11N42O21S8 and a molecular weight of 4430.36 g/mol. Its IUPAC name is 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
PubChem CID159769269
Molecular FormulaC215H275Cl11N42O21S8
Molecular Weight4430.36 g/mol
Exact Mass4421.61
IUPAC Name6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCCONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.COCCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.COCCNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.Cc1cc(C#N)[n+]([O-])c(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ccon2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ccccn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cc2ccccn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cc2cccnc2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cc2ccncc2)CC1
InChIInChI=1S/3C28H33Cl2N5O2S.C28H35ClN6O2S.C27H33N7O4S.C26H38ClN5O3S.C25H34Cl2N4O3S.C25H36ClN5O3S/c1-19-15-24(29)33-27(30)26(19)28(37)32-11-3-20(2)34-12-6-23(7-13-34)35(17-22-8-14-38-18-22)25(36)16-21-4-9-31-10-5-21;1-19-14-24(29)33-27(30)26(19)28(37)32-10-5-20(2)34-11-6-23(7-12-34)35(17-22-8-13-38-18-22)25(36)15-21-4-3-9-31-16-21;1-19-15-24(29)33-27(30)26(19)28(37)32-11-6-20(2)34-12-7-23(8-13-34)35(17-21-9-14-38-18-21)25(36)16-22-5-3-4-10-31-22;1-19-16-24(29)32-21(3)26(19)27(36)31-12-7-20(2)34-13-8-23(9-14-34)35(17-22-10-15-38-18-22)28(37)33-25-6-4-5-11-30-25;1-18-14-23(15-28)34(37)20(3)25(18)26(35)29-9-4-19(2)32-10-5-22(6-11-32)33(16-21-8-13-39-17-21)27(36)30-24-7-12-38-31-24;1-18-15-23(27)30-20(3)24(18)25(33)28-9-5-19(2)31-11-6-22(7-12-31)32(16-21-8-14-36-17-21)26(34)29-10-13-35-4;1-17-14-21(26)29-24(27)23(17)25(33)28-9-4-18(2)30-10-5-20(6-11-30)31(22(32)7-12-34-3)15-19-8-13-35-16-19;1-5-34-29-25(33)31(15-20-9-13-35-16-20)21-7-11-30(12-8-21)18(3)6-10-27-24(32)23-17(2)14-22(26)28-19(23)4/h4-5,8-10,14-15,18,20,23H,3,6-7,11-13,16-17H2,1-2H3,(H,32,37);3-4,8-9,13-14,16,18,20,23H,5-7,10-12,15,17H2,1-2H3,(H,32,37);3-5,9-10,14-15,18,20,23H,6-8,11-13,16-17H2,1-2H3,(H,32,37);4-6,10-11,15-16,18,20,23H,7-9,12-14,17H2,1-3H3,(H,31,36)(H,30,33,37);7-8,12-14,17,19,22H,4-6,9-11,16H2,1-3H3,(H,29,35)(H,30,31,36);8,14-15,17,19,22H,5-7,9-13,16H2,1-4H3,(H,28,33)(H,29,34);8,13-14,16,18,20H,4-7,9-12,15H2,1-3H3,(H,28,33);9,13-14,16,18,21H,5-8,10-12,15H2,1-4H3,(H,27,32)(H,29,33)/t4*20-;2*19-;2*18-/m11111111/s1
InChIKeyNFXDWXBQLMRNIL-AFCUMKQXSA-N
XLogP38.86
TPSA715.56 Ų
H-Bond Donors12
H-Bond Acceptors50
Rotatable Bonds80
Heavy Atoms297
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004430.36
LogP ≤ 538.86
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1050

Analyze 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (CID 159769269) is 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is CCONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.COCCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.COCCNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.Cc1cc(C#N)[n+]([O-])c(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ccon2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ccccn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cc2ccccn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cc2cccnc2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cc2ccncc2)CC1.
What is the InChIKey of 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The InChIKey is NFXDWXBQLMRNIL-AFCUMKQXSA-N. The full InChI is InChI=1S/3C28H33Cl2N5O2S.C28H35ClN6O2S.C27H33N7O4S.C26H38ClN5O3S.C25H34Cl2N4O3S.C25H36ClN5O3S/c1-19-15-24(29)33-27(30)26(19)28(37)32-11-3-20(2)34-12-6-23(7-13-34)35(17-22-8-14-38-18-22)25(36)16-21-4-9-31-10-5-21;1-19-14-24(29)33-27(30)26(19)28(37)32-10-5-20(2)34-11-6-23(7-12-34)35(17-22-8-13-38-18-22)25(36)15-21-4-3-9-31-16-21;1-19-15-24(29)33-27(30)26(19)28(37)32-11-6-20(2)34-12-7-23(8-13-34)35(17-21-9-14-38-18-21)25(36)16-22-5-3-4-10-31-22;1-19-16-24(29)32-21(3)26(19)27(36)31-12-7-20(2)34-13-8-23(9-14-34)35(17-22-10-15-38-18-22)28(37)33-25-6-4-5-11-30-25;1-18-14-23(15-28)34(37)20(3)25(18)26(35)29-9-4-19(2)32-10-5-22(6-11-32)33(16-21-8-13-39-17-21)27(36)30-24-7-12-38-31-24;1-18-15-23(27)30-20(3)24(18)25(33)28-9-5-19(2)31-11-6-22(7-12-31)32(16-21-8-14-36-17-21)26(34)29-10-13-35-4;1-17-14-21(26)29-24(27)23(17)25(33)28-9-4-18(2)30-10-5-20(6-11-30)31(22(32)7-12-34-3)15-19-8-13-35-16-19;1-5-34-29-25(33)31(15-20-9-13-35-16-20)21-7-11-30(12-8-21)18(3)6-10-27-24(32)23-17(2)14-22(26)28-19(23)4/h4-5,8-10,14-15,18,20,23H,3,6-7,11-13,16-17H2,1-2H3,(H,32,37);3-4,8-9,13-14,16,18,20,23H,5-7,10-12,15,17H2,1-2H3,(H,32,37);3-5,9-10,14-15,18,20,23H,6-8,11-13,16-17H2,1-2H3,(H,32,37);4-6,10-11,15-16,18,20,23H,7-9,12-14,17H2,1-3H3,(H,31,36)(H,30,33,37);7-8,12-14,17,19,22H,4-6,9-11,16H2,1-3H3,(H,29,35)(H,30,31,36);8,14-15,17,19,22H,5-7,9-13,16H2,1-4H3,(H,28,33)(H,29,34);8,13-14,16,18,20H,4-7,9-12,15H2,1-3H3,(H,28,33);9,13-14,16,18,21H,5-8,10-12,15H2,1-4H3,(H,27,32)(H,29,33)/t4*20-;2*19-;2*18-/m11111111/s1.
What are the key properties of 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 4430.36 g/mol, XLogP of 38.86, 80 rotatable bonds, 12 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[ethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[1,2-oxazol-3-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-1-oxidopyridin-1-ium-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-4-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 159769269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).