N-[(3R)-3-[4-[3-acetamidopropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-4-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

C219H282Cl13N45O19S8 — CID 157343951

IUPACN-[(3R)-3-[4-[3-acetamidopropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-4-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCC(=O)NCCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.CC(C)=CC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2ccc[n+]([O-])c2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2cccnc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2ccncc2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCCC2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cn2cncn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2cc[n+]([O-])cc2)CC1
InChIInChI=1S/C29H37ClN6O3S.2C29H37ClN6O2S.C28H34Cl2N6O3S.C27H37Cl2N5O2S.C26H35Cl2N5O3S.C26H34Cl2N4O2S.C25H31Cl2N7O2S/c1-20-15-26(30)33-22(3)27(20)28(37)31-10-6-21(2)34-12-7-25(8-13-34)36(18-24-9-14-40-19-24)29(38)32-16-23-5-4-11-35(39)17-23;1-20-16-26(30)34-22(3)27(20)28(37)32-12-4-21(2)35-13-7-25(8-14-35)36(18-24-9-15-39-19-24)29(38)33-17-23-5-10-31-11-6-23;1-20-15-26(30)34-22(3)27(20)28(37)32-11-6-21(2)35-12-7-25(8-13-35)36(18-24-9-14-39-19-24)29(38)33-17-23-5-4-10-31-16-23;1-19-15-24(29)33-26(30)25(19)27(37)31-9-3-20(2)34-10-6-23(7-11-34)36(17-22-8-14-40-18-22)28(38)32-16-21-4-12-35(39)13-5-21;1-19-15-23(28)31-26(29)25(19)27(36)30-9-5-20(2)33-12-6-22(7-13-33)34(16-21-8-14-37-18-21)24(35)17-32-10-3-4-11-32;1-17-14-22(27)31-25(28)24(17)26(36)30-9-4-18(2)32-11-6-21(7-12-32)33(15-20-8-13-37-16-20)23(35)5-10-29-19(3)34;1-17(2)13-23(33)32(15-20-8-12-35-16-20)21-6-10-31(11-7-21)19(4)5-9-29-26(34)24-18(3)14-22(27)30-25(24)28;1-17-11-21(26)31-24(27)23(17)25(36)29-7-3-18(2)32-8-4-20(5-9-32)34(12-19-6-10-37-14-19)22(35)13-33-16-28-15-30-33/h4-5,9,11,14-15,17,19,21,25H,6-8,10,12-13,16,18H2,1-3H3,(H,31,37)(H,32,38);5-6,9-11,15-16,19,21,25H,4,7-8,12-14,17-18H2,1-3H3,(H,32,37)(H,33,38);4-5,9-10,14-16,19,21,25H,6-8,11-13,17-18H2,1-3H3,(H,32,37)(H,33,38);4-5,8,12-15,18,20,23H,3,6-7,9-11,16-17H2,1-2H3,(H,31,37)(H,32,38);8,14-15,18,20,22H,3-7,9-13,16-17H2,1-2H3,(H,30,36);8,13-14,16,18,21H,4-7,9-12,15H2,1-3H3,(H,29,34)(H,30,36);8,12-14,16,19,21H,5-7,9-11,15H2,1-4H3,(H,29,34);6,10-11,14-16,18,20H,3-5,7-9,12-13H2,1-2H3,(H,29,36)/t3*21-;2*20-;18-;19-;18-/m11111111/s1
InChIKeyBGSQAABBFPQVPT-SYJHJMPPSA-N
MW4566.39 g/mol
LogP38.51
Rot. Bonds80

About N-[(3R)-3-[4-[3-acetamidopropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-4-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

N-[(3R)-3-[4-[3-acetamidopropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-4-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 157343951) has the molecular formula C219H282Cl13N45O19S8 and a molecular weight of 4566.39 g/mol. Its IUPAC name is N-[(3R)-3-[4-[3-acetamidopropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-4-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-[4-[3-acetamidopropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-4-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
PubChem CID157343951
Molecular FormulaC219H282Cl13N45O19S8
Molecular Weight4566.39 g/mol
Exact Mass4556.62
IUPAC NameN-[(3R)-3-[4-[3-acetamidopropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-4-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCC(=O)NCCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.CC(C)=CC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2ccc[n+]([O-])c2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2cccnc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2ccncc2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCCC2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cn2cncn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2cc[n+]([O-])cc2)CC1
InChIInChI=1S/C29H37ClN6O3S.2C29H37ClN6O2S.C28H34Cl2N6O3S.C27H37Cl2N5O2S.C26H35Cl2N5O3S.C26H34Cl2N4O2S.C25H31Cl2N7O2S/c1-20-15-26(30)33-22(3)27(20)28(37)31-10-6-21(2)34-12-7-25(8-13-34)36(18-24-9-14-40-19-24)29(38)32-16-23-5-4-11-35(39)17-23;1-20-16-26(30)34-22(3)27(20)28(37)32-12-4-21(2)35-13-7-25(8-14-35)36(18-24-9-15-39-19-24)29(38)33-17-23-5-10-31-11-6-23;1-20-15-26(30)34-22(3)27(20)28(37)32-11-6-21(2)35-12-7-25(8-13-35)36(18-24-9-14-39-19-24)29(38)33-17-23-5-4-10-31-16-23;1-19-15-24(29)33-26(30)25(19)27(37)31-9-3-20(2)34-10-6-23(7-11-34)36(17-22-8-14-40-18-22)28(38)32-16-21-4-12-35(39)13-5-21;1-19-15-23(28)31-26(29)25(19)27(36)30-9-5-20(2)33-12-6-22(7-13-33)34(16-21-8-14-37-18-21)24(35)17-32-10-3-4-11-32;1-17-14-22(27)31-25(28)24(17)26(36)30-9-4-18(2)32-11-6-21(7-12-32)33(15-20-8-13-37-16-20)23(35)5-10-29-19(3)34;1-17(2)13-23(33)32(15-20-8-12-35-16-20)21-6-10-31(11-7-21)19(4)5-9-29-26(34)24-18(3)14-22(27)30-25(24)28;1-17-11-21(26)31-24(27)23(17)25(36)29-7-3-18(2)32-8-4-20(5-9-32)34(12-19-6-10-37-14-19)22(35)13-33-16-28-15-30-33/h4-5,9,11,14-15,17,19,21,25H,6-8,10,12-13,16,18H2,1-3H3,(H,31,37)(H,32,38);5-6,9-11,15-16,19,21,25H,4,7-8,12-14,17-18H2,1-3H3,(H,32,37)(H,33,38);4-5,9-10,14-16,19,21,25H,6-8,11-13,17-18H2,1-3H3,(H,32,37)(H,33,38);4-5,8,12-15,18,20,23H,3,6-7,9-11,16-17H2,1-2H3,(H,31,37)(H,32,38);8,14-15,18,20,22H,3-7,9-13,16-17H2,1-2H3,(H,30,36);8,13-14,16,18,21H,4-7,9-12,15H2,1-3H3,(H,29,34)(H,30,36);8,12-14,16,19,21H,5-7,9-11,15H2,1-4H3,(H,29,34);6,10-11,14-16,18,20H,3-5,7-9,12-13H2,1-2H3,(H,29,36)/t3*21-;2*20-;18-;19-;18-/m11111111/s1
InChIKeyBGSQAABBFPQVPT-SYJHJMPPSA-N
XLogP38.51
TPSA715.15 Ų
H-Bond Donors13
H-Bond Acceptors49
Rotatable Bonds80
Heavy Atoms304
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004566.39
LogP ≤ 538.51
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1049

Analyze N-[(3R)-3-[4-[3-acetamidopropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-4-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[4-[3-acetamidopropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-4-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R)-3-[4-[3-acetamidopropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-4-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (CID 157343951) is N-[(3R)-3-[4-[3-acetamidopropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-4-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R)-3-[4-[3-acetamidopropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-4-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R)-3-[4-[3-acetamidopropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-4-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is CC(=O)NCCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.CC(C)=CC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2ccc[n+]([O-])c2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2cccnc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2ccncc2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCCC2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Cn2cncn2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2cc[n+]([O-])cc2)CC1.
What is the InChIKey of N-[(3R)-3-[4-[3-acetamidopropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-4-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The InChIKey is BGSQAABBFPQVPT-SYJHJMPPSA-N. The full InChI is InChI=1S/C29H37ClN6O3S.2C29H37ClN6O2S.C28H34Cl2N6O3S.C27H37Cl2N5O2S.C26H35Cl2N5O3S.C26H34Cl2N4O2S.C25H31Cl2N7O2S/c1-20-15-26(30)33-22(3)27(20)28(37)31-10-6-21(2)34-12-7-25(8-13-34)36(18-24-9-14-40-19-24)29(38)32-16-23-5-4-11-35(39)17-23;1-20-16-26(30)34-22(3)27(20)28(37)32-12-4-21(2)35-13-7-25(8-14-35)36(18-24-9-15-39-19-24)29(38)33-17-23-5-10-31-11-6-23;1-20-15-26(30)34-22(3)27(20)28(37)32-11-6-21(2)35-12-7-25(8-13-35)36(18-24-9-14-39-19-24)29(38)33-17-23-5-4-10-31-16-23;1-19-15-24(29)33-26(30)25(19)27(37)31-9-3-20(2)34-10-6-23(7-11-34)36(17-22-8-14-40-18-22)28(38)32-16-21-4-12-35(39)13-5-21;1-19-15-23(28)31-26(29)25(19)27(36)30-9-5-20(2)33-12-6-22(7-13-33)34(16-21-8-14-37-18-21)24(35)17-32-10-3-4-11-32;1-17-14-22(27)31-25(28)24(17)26(36)30-9-4-18(2)32-11-6-21(7-12-32)33(15-20-8-13-37-16-20)23(35)5-10-29-19(3)34;1-17(2)13-23(33)32(15-20-8-12-35-16-20)21-6-10-31(11-7-21)19(4)5-9-29-26(34)24-18(3)14-22(27)30-25(24)28;1-17-11-21(26)31-24(27)23(17)25(36)29-7-3-18(2)32-8-4-20(5-9-32)34(12-19-6-10-37-14-19)22(35)13-33-16-28-15-30-33/h4-5,9,11,14-15,17,19,21,25H,6-8,10,12-13,16,18H2,1-3H3,(H,31,37)(H,32,38);5-6,9-11,15-16,19,21,25H,4,7-8,12-14,17-18H2,1-3H3,(H,32,37)(H,33,38);4-5,9-10,14-16,19,21,25H,6-8,11-13,17-18H2,1-3H3,(H,32,37)(H,33,38);4-5,8,12-15,18,20,23H,3,6-7,9-11,16-17H2,1-2H3,(H,31,37)(H,32,38);8,14-15,18,20,22H,3-7,9-13,16-17H2,1-2H3,(H,30,36);8,13-14,16,18,21H,4-7,9-12,15H2,1-3H3,(H,29,34)(H,30,36);8,12-14,16,19,21H,5-7,9-11,15H2,1-4H3,(H,29,34);6,10-11,14-16,18,20H,3-5,7-9,12-13H2,1-2H3,(H,29,36)/t3*21-;2*20-;18-;19-;18-/m11111111/s1.
What are the key properties of N-[(3R)-3-[4-[3-acetamidopropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-4-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
N-[(3R)-3-[4-[3-acetamidopropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-4-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 4566.39 g/mol, XLogP of 38.51, 80 rotatable bonds, 13 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-[4-[3-acetamidopropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-4-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 157343951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).