6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;bis(5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide);N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide

C208H283Cl5F8N40O23S8 — CID 158941286

IUPAC6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;bis(5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide);N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide
SMILESCONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(-c3cccnc3)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)C)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)C)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC3CC3)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(C=O)Cc2ccsc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)C(F)F)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CF)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C29H38N6O3S.C28H40N6O4S.2C28H42N6O4S.C24H27Cl2F5N4O2S.C24H31ClF2N4O2S.C24H32ClFN4O2S.C23H31ClN4O2S/c1-20-16-26(24-6-5-11-30-17-24)32-22(3)27(20)28(36)31-12-7-21(2)34-13-8-25(9-14-34)35(29(37)33-38-4)18-23-10-15-39-19-23;1-18-15-24(26(35)31-22-5-6-22)30-20(3)25(18)27(36)29-11-7-19(2)33-12-8-23(9-13-33)34(28(37)32-38-4)16-21-10-14-39-17-21;2*1-18(2)30-26(35)24-15-19(3)25(21(5)31-24)27(36)29-11-7-20(4)33-12-8-23(9-13-33)34(28(37)32-38-6)16-22-10-14-39-17-22;1-14-11-18(25)33-20(26)19(14)21(36)32-7-3-15(2)34-8-4-17(5-9-34)35(12-16-6-10-38-13-16)22(37)23(27,28)24(29,30)31;1-15-12-20(25)29-17(3)21(15)23(32)28-8-4-16(2)30-9-5-19(6-10-30)31(24(33)22(26)27)13-18-7-11-34-14-18;1-16-12-21(25)28-18(3)23(16)24(32)27-8-4-17(2)29-9-5-20(6-10-29)30(22(31)13-26)14-19-7-11-33-15-19;1-16-12-21(24)26-18(3)22(16)23(30)25-8-4-17(2)27-9-5-20(6-10-27)28(15-29)13-19-7-11-31-14-19/h5-6,10-11,15-17,19,21,25H,7-9,12-14,18H2,1-4H3,(H,31,36)(H,33,37);10,14-15,17,19,22-23H,5-9,11-13,16H2,1-4H3,(H,29,36)(H,31,35)(H,32,37);2*10,14-15,17-18,20,23H,7-9,11-13,16H2,1-6H3,(H,29,36)(H,30,35)(H,32,37);6,10-11,13,15,17H,3-5,7-9,12H2,1-2H3,(H,32,36);7,11-12,14,16,19,22H,4-6,8-10,13H2,1-3H3,(H,28,32);7,11-12,15,17,20H,4-6,8-10,13-14H2,1-3H3,(H,27,32);7,11-12,14-15,17,20H,4-6,8-10,13H2,1-3H3,(H,25,30)/t21-;19-;2*20-;15-;16-;2*17-/m11111111/s1
InChIKeyJKGXURHPQQOPSE-MYLCFZIGSA-N
MW4297.59 g/mol
LogP34.32
Rot. Bonds79

About 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;bis(5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide);N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide

6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;bis(5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide);N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 158941286) has the molecular formula C208H283Cl5F8N40O23S8 and a molecular weight of 4297.59 g/mol. Its IUPAC name is 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;bis(5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide);N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;bis(5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide);N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide
PubChem CID158941286
Molecular FormulaC208H283Cl5F8N40O23S8
Molecular Weight4297.59 g/mol
Exact Mass4291.83
IUPAC Name6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;bis(5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide);N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide
SMILESCONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(-c3cccnc3)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)C)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)C)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC3CC3)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(C=O)Cc2ccsc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)C(F)F)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CF)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C29H38N6O3S.C28H40N6O4S.2C28H42N6O4S.C24H27Cl2F5N4O2S.C24H31ClF2N4O2S.C24H32ClFN4O2S.C23H31ClN4O2S/c1-20-16-26(24-6-5-11-30-17-24)32-22(3)27(20)28(36)31-12-7-21(2)34-13-8-25(9-14-34)35(29(37)33-38-4)18-23-10-15-39-19-23;1-18-15-24(26(35)31-22-5-6-22)30-20(3)25(18)27(36)29-11-7-19(2)33-12-8-23(9-13-33)34(28(37)32-38-4)16-21-10-14-39-17-21;2*1-18(2)30-26(35)24-15-19(3)25(21(5)31-24)27(36)29-11-7-20(4)33-12-8-23(9-13-33)34(28(37)32-38-6)16-22-10-14-39-17-22;1-14-11-18(25)33-20(26)19(14)21(36)32-7-3-15(2)34-8-4-17(5-9-34)35(12-16-6-10-38-13-16)22(37)23(27,28)24(29,30)31;1-15-12-20(25)29-17(3)21(15)23(32)28-8-4-16(2)30-9-5-19(6-10-30)31(24(33)22(26)27)13-18-7-11-34-14-18;1-16-12-21(25)28-18(3)23(16)24(32)27-8-4-17(2)29-9-5-20(6-10-29)30(22(31)13-26)14-19-7-11-33-15-19;1-16-12-21(24)26-18(3)22(16)23(30)25-8-4-17(2)27-9-5-20(6-10-27)28(15-29)13-19-7-11-31-14-19/h5-6,10-11,15-17,19,21,25H,7-9,12-14,18H2,1-4H3,(H,31,36)(H,33,37);10,14-15,17,19,22-23H,5-9,11-13,16H2,1-4H3,(H,29,36)(H,31,35)(H,32,37);2*10,14-15,17-18,20,23H,7-9,11-13,16H2,1-6H3,(H,29,36)(H,30,35)(H,32,37);6,10-11,13,15,17H,3-5,7-9,12H2,1-2H3,(H,32,36);7,11-12,14,16,19,22H,4-6,8-10,13H2,1-3H3,(H,28,32);7,11-12,15,17,20H,4-6,8-10,13-14H2,1-3H3,(H,27,32);7,11-12,14-15,17,20H,4-6,8-10,13H2,1-3H3,(H,25,30)/t21-;19-;2*20-;15-;16-;2*17-/m11111111/s1
InChIKeyJKGXURHPQQOPSE-MYLCFZIGSA-N
XLogP34.32
TPSA709.55 Ų
H-Bond Donors15
H-Bond Acceptors48
Rotatable Bonds79
Heavy Atoms292
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004297.59
LogP ≤ 534.32
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1048

Analyze 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;bis(5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide);N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;bis(5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide);N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;bis(5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide);N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide (CID 158941286) is 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;bis(5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide);N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;bis(5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide);N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;bis(5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide);N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide is CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(-c3cccnc3)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)C)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)C)nc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC3CC3)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(C=O)Cc2ccsc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)C(F)F)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CF)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)C(F)(F)C(F)(F)F)CC1.
What is the InChIKey of 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;bis(5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide);N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is JKGXURHPQQOPSE-MYLCFZIGSA-N. The full InChI is InChI=1S/C29H38N6O3S.C28H40N6O4S.2C28H42N6O4S.C24H27Cl2F5N4O2S.C24H31ClF2N4O2S.C24H32ClFN4O2S.C23H31ClN4O2S/c1-20-16-26(24-6-5-11-30-17-24)32-22(3)27(20)28(36)31-12-7-21(2)34-13-8-25(9-14-34)35(29(37)33-38-4)18-23-10-15-39-19-23;1-18-15-24(26(35)31-22-5-6-22)30-20(3)25(18)27(36)29-11-7-19(2)33-12-8-23(9-13-33)34(28(37)32-38-4)16-21-10-14-39-17-21;2*1-18(2)30-26(35)24-15-19(3)25(21(5)31-24)27(36)29-11-7-20(4)33-12-8-23(9-13-33)34(28(37)32-38-6)16-22-10-14-39-17-22;1-14-11-18(25)33-20(26)19(14)21(36)32-7-3-15(2)34-8-4-17(5-9-34)35(12-16-6-10-38-13-16)22(37)23(27,28)24(29,30)31;1-15-12-20(25)29-17(3)21(15)23(32)28-8-4-16(2)30-9-5-19(6-10-30)31(24(33)22(26)27)13-18-7-11-34-14-18;1-16-12-21(25)28-18(3)23(16)24(32)27-8-4-17(2)29-9-5-20(6-10-29)30(22(31)13-26)14-19-7-11-33-15-19;1-16-12-21(24)26-18(3)22(16)23(30)25-8-4-17(2)27-9-5-20(6-10-27)28(15-29)13-19-7-11-31-14-19/h5-6,10-11,15-17,19,21,25H,7-9,12-14,18H2,1-4H3,(H,31,36)(H,33,37);10,14-15,17,19,22-23H,5-9,11-13,16H2,1-4H3,(H,29,36)(H,31,35)(H,32,37);2*10,14-15,17-18,20,23H,7-9,11-13,16H2,1-6H3,(H,29,36)(H,30,35)(H,32,37);6,10-11,13,15,17H,3-5,7-9,12H2,1-2H3,(H,32,36);7,11-12,14,16,19,22H,4-6,8-10,13H2,1-3H3,(H,28,32);7,11-12,15,17,20H,4-6,8-10,13-14H2,1-3H3,(H,27,32);7,11-12,14-15,17,20H,4-6,8-10,13H2,1-3H3,(H,25,30)/t21-;19-;2*20-;15-;16-;2*17-/m11111111/s1.
What are the key properties of 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;bis(5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide);N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide?
6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;bis(5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide);N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 4297.59 g/mol, XLogP of 34.32, 79 rotatable bonds, 15 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;bis(5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide);N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 158941286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).