6-chloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-methylimidazol-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

C206H280Cl15N47O23S8 — CID 158803791

IUPAC6-chloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-methylimidazol-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCOCCCNC(=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)nc2Cl)CC1.COCCONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.COCCONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCC(=O)N(C)C)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2cn(C)cn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ncc[nH]2)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3Cl)CC2)n[nH]1
InChIInChI=1S/C27H35Cl2N7O2S.C26H33Cl2N7O2S.C26H36Cl2N6O3S.C26H37Cl2N5O3S.C26H38ClN5O4S.C25H31Cl2N7O2S.C25H35Cl2N5O4S.C25H35Cl2N5O3S/c1-18-12-23(28)33-25(29)24(18)26(37)30-8-4-19(2)35-9-5-22(6-10-35)36(14-20-7-11-39-16-20)27(38)31-13-21-15-34(3)17-32-21;1-16-12-21(27)30-24(28)23(16)25(36)29-8-4-18(3)34-9-5-20(6-10-34)35(14-19-7-11-38-15-19)26(37)31-22-13-17(2)32-33-22;1-17-13-21(27)31-24(28)23(17)25(36)29-9-5-18(2)33-10-6-20(7-11-33)34(15-19-8-12-38-16-19)26(37)30-14-22(35)32(3)4;1-18-15-22(27)31-24(28)23(18)25(34)29-10-5-19(2)32-11-6-21(7-12-32)33(16-20-8-14-37-17-20)26(35)30-9-4-13-36-3;1-18-15-23(27)29-20(3)24(18)25(33)28-9-5-19(2)31-10-6-22(7-11-31)32(16-21-8-14-37-17-21)26(34)30-36-13-12-35-4;1-16-13-20(26)31-22(27)21(16)23(35)28-7-3-17(2)33-10-4-19(5-11-33)34(14-18-6-12-37-15-18)25(36)32-24-29-8-9-30-24;1-17-14-21(26)29-23(27)22(17)24(33)28-8-4-18(2)31-9-5-20(6-10-31)32(15-19-7-13-37-16-19)25(34)30-36-12-11-35-3;1-17-14-21(26)30-23(27)22(17)24(33)28-8-4-18(2)31-10-5-20(6-11-31)32(15-19-7-13-36-16-19)25(34)29-9-12-35-3/h7,11-12,15-17,19,22H,4-6,8-10,13-14H2,1-3H3,(H,30,37)(H,31,38);7,11-13,15,18,20H,4-6,8-10,14H2,1-3H3,(H,29,36)(H2,31,32,33,37);8,12-13,16,18,20H,5-7,9-11,14-15H2,1-4H3,(H,29,36)(H,30,37);8,14-15,17,19,21H,4-7,9-13,16H2,1-3H3,(H,29,34)(H,30,35);8,14-15,17,19,22H,5-7,9-13,16H2,1-4H3,(H,28,33)(H,30,34);6,8-9,12-13,15,17,19H,3-5,7,10-11,14H2,1-2H3,(H,28,35)(H2,29,30,32,36);7,13-14,16,18,20H,4-6,8-12,15H2,1-3H3,(H,28,33)(H,30,34);7,13-14,16,18,20H,4-6,8-12,15H2,1-3H3,(H,28,33)(H,29,34)/t19-;2*18-;2*19-;17-;2*18-/m11111111/s1
InChIKeyITUXQLQFOSATNM-QMNKQXBWSA-N
MW4571.14 g/mol
LogP37.86
Rot. Bonds85

About 6-chloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-methylimidazol-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

6-chloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-methylimidazol-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 158803791) has the molecular formula C206H280Cl15N47O23S8 and a molecular weight of 4571.14 g/mol. Its IUPAC name is 6-chloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-methylimidazol-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-methylimidazol-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
PubChem CID158803791
Molecular FormulaC206H280Cl15N47O23S8
Molecular Weight4571.14 g/mol
Exact Mass4560.53
IUPAC Name6-chloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-methylimidazol-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCOCCCNC(=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)nc2Cl)CC1.COCCONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.COCCONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCC(=O)N(C)C)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2cn(C)cn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ncc[nH]2)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3Cl)CC2)n[nH]1
InChIInChI=1S/C27H35Cl2N7O2S.C26H33Cl2N7O2S.C26H36Cl2N6O3S.C26H37Cl2N5O3S.C26H38ClN5O4S.C25H31Cl2N7O2S.C25H35Cl2N5O4S.C25H35Cl2N5O3S/c1-18-12-23(28)33-25(29)24(18)26(37)30-8-4-19(2)35-9-5-22(6-10-35)36(14-20-7-11-39-16-20)27(38)31-13-21-15-34(3)17-32-21;1-16-12-21(27)30-24(28)23(16)25(36)29-8-4-18(3)34-9-5-20(6-10-34)35(14-19-7-11-38-15-19)26(37)31-22-13-17(2)32-33-22;1-17-13-21(27)31-24(28)23(17)25(36)29-9-5-18(2)33-10-6-20(7-11-33)34(15-19-8-12-38-16-19)26(37)30-14-22(35)32(3)4;1-18-15-22(27)31-24(28)23(18)25(34)29-10-5-19(2)32-11-6-21(7-12-32)33(16-20-8-14-37-17-20)26(35)30-9-4-13-36-3;1-18-15-23(27)29-20(3)24(18)25(33)28-9-5-19(2)31-10-6-22(7-11-31)32(16-21-8-14-37-17-21)26(34)30-36-13-12-35-4;1-16-13-20(26)31-22(27)21(16)23(35)28-7-3-17(2)33-10-4-19(5-11-33)34(14-18-6-12-37-15-18)25(36)32-24-29-8-9-30-24;1-17-14-21(26)29-23(27)22(17)24(33)28-8-4-18(2)31-9-5-20(6-10-31)32(15-19-7-13-37-16-19)25(34)30-36-12-11-35-3;1-17-14-21(26)30-23(27)22(17)24(33)28-8-4-18(2)31-10-5-20(6-11-31)32(15-19-7-13-36-16-19)25(34)29-9-12-35-3/h7,11-12,15-17,19,22H,4-6,8-10,13-14H2,1-3H3,(H,30,37)(H,31,38);7,11-13,15,18,20H,4-6,8-10,14H2,1-3H3,(H,29,36)(H2,31,32,33,37);8,12-13,16,18,20H,5-7,9-11,14-15H2,1-4H3,(H,29,36)(H,30,37);8,14-15,17,19,21H,4-7,9-13,16H2,1-3H3,(H,29,34)(H,30,35);8,14-15,17,19,22H,5-7,9-13,16H2,1-4H3,(H,28,33)(H,30,34);6,8-9,12-13,15,17,19H,3-5,7,10-11,14H2,1-2H3,(H,28,35)(H2,29,30,32,36);7,13-14,16,18,20H,4-6,8-12,15H2,1-3H3,(H,28,33)(H,30,34);7,13-14,16,18,20H,4-6,8-12,15H2,1-3H3,(H,28,33)(H,29,34)/t19-;2*18-;2*19-;17-;2*18-/m11111111/s1
InChIKeyITUXQLQFOSATNM-QMNKQXBWSA-N
XLogP37.86
TPSA771.43 Ų
H-Bond Donors18
H-Bond Acceptors51
Rotatable Bonds85
Heavy Atoms299
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004571.14
LogP ≤ 537.86
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1051

Analyze 6-chloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-methylimidazol-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(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-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-methylimidazol-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-methylimidazol-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (CID 158803791) is 6-chloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-methylimidazol-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-methylimidazol-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-methylimidazol-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is COCCCNC(=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)nc2Cl)CC1.COCCONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.COCCONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCC(=O)N(C)C)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2cn(C)cn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ncc[nH]2)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3Cl)CC2)n[nH]1.
What is the InChIKey of 6-chloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-methylimidazol-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The InChIKey is ITUXQLQFOSATNM-QMNKQXBWSA-N. The full InChI is InChI=1S/C27H35Cl2N7O2S.C26H33Cl2N7O2S.C26H36Cl2N6O3S.C26H37Cl2N5O3S.C26H38ClN5O4S.C25H31Cl2N7O2S.C25H35Cl2N5O4S.C25H35Cl2N5O3S/c1-18-12-23(28)33-25(29)24(18)26(37)30-8-4-19(2)35-9-5-22(6-10-35)36(14-20-7-11-39-16-20)27(38)31-13-21-15-34(3)17-32-21;1-16-12-21(27)30-24(28)23(16)25(36)29-8-4-18(3)34-9-5-20(6-10-34)35(14-19-7-11-38-15-19)26(37)31-22-13-17(2)32-33-22;1-17-13-21(27)31-24(28)23(17)25(36)29-9-5-18(2)33-10-6-20(7-11-33)34(15-19-8-12-38-16-19)26(37)30-14-22(35)32(3)4;1-18-15-22(27)31-24(28)23(18)25(34)29-10-5-19(2)32-11-6-21(7-12-32)33(16-20-8-14-37-17-20)26(35)30-9-4-13-36-3;1-18-15-23(27)29-20(3)24(18)25(33)28-9-5-19(2)31-10-6-22(7-11-31)32(16-21-8-14-37-17-21)26(34)30-36-13-12-35-4;1-16-13-20(26)31-22(27)21(16)23(35)28-7-3-17(2)33-10-4-19(5-11-33)34(14-18-6-12-37-15-18)25(36)32-24-29-8-9-30-24;1-17-14-21(26)29-23(27)22(17)24(33)28-8-4-18(2)31-9-5-20(6-10-31)32(15-19-7-13-37-16-19)25(34)30-36-12-11-35-3;1-17-14-21(26)30-23(27)22(17)24(33)28-8-4-18(2)31-10-5-20(6-11-31)32(15-19-7-13-36-16-19)25(34)29-9-12-35-3/h7,11-12,15-17,19,22H,4-6,8-10,13-14H2,1-3H3,(H,30,37)(H,31,38);7,11-13,15,18,20H,4-6,8-10,14H2,1-3H3,(H,29,36)(H2,31,32,33,37);8,12-13,16,18,20H,5-7,9-11,14-15H2,1-4H3,(H,29,36)(H,30,37);8,14-15,17,19,21H,4-7,9-13,16H2,1-3H3,(H,29,34)(H,30,35);8,14-15,17,19,22H,5-7,9-13,16H2,1-4H3,(H,28,33)(H,30,34);6,8-9,12-13,15,17,19H,3-5,7,10-11,14H2,1-2H3,(H,28,35)(H2,29,30,32,36);7,13-14,16,18,20H,4-6,8-12,15H2,1-3H3,(H,28,33)(H,30,34);7,13-14,16,18,20H,4-6,8-12,15H2,1-3H3,(H,28,33)(H,29,34)/t19-;2*18-;2*19-;17-;2*18-/m11111111/s1.
What are the key properties of 6-chloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-methylimidazol-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
6-chloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-methylimidazol-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 4571.14 g/mol, XLogP of 37.86, 85 rotatable bonds, 18 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[3-methoxypropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-methylimidazol-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 158803791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).