N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate

C204H269Cl14N49O24S8 — CID 161208591

IUPACN-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate
SMILESCC(=O)NNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.COC(=O)[C@H](C)NC(=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)NN2CCCC2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NC2CCOC2=O)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCC2OCCO2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ncn[nH]2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nn2cnnc2)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)on1
InChIInChI=1S/C27H35ClN6O3S.C27H39ClN6O2S.C26H33Cl2N5O4S.2C26H35Cl2N5O4S.2C24H30Cl2N8O2S.C24H32Cl2N6O3S/c1-17-13-23(28)30-20(4)25(17)26(35)29-9-5-19(3)33-10-6-22(7-11-33)34(15-21-8-12-38-16-21)27(36)31-24-14-18(2)32-37-24;1-19-16-24(28)30-21(3)25(19)26(35)29-10-6-20(2)32-13-7-23(8-14-32)34(17-22-9-15-37-18-22)27(36)31-33-11-4-5-12-33;1-16-13-21(27)31-23(28)22(16)24(34)29-8-3-17(2)32-9-4-19(5-10-32)33(14-18-7-12-38-15-18)26(36)30-20-6-11-37-25(20)35;1-17-13-21(27)31-24(28)23(17)25(34)29-7-3-18(2)32-8-4-20(5-9-32)33(15-19-6-12-38-16-19)26(35)30-14-22-36-10-11-37-22;1-16-13-21(27)31-23(28)22(16)24(34)29-9-5-17(2)32-10-6-20(7-11-32)33(14-19-8-12-38-15-19)26(36)30-18(3)25(35)37-4;1-16-11-20(25)30-22(26)21(16)23(35)27-7-3-17(2)32-8-4-19(5-9-32)34(12-18-6-10-37-13-18)24(36)31-33-14-28-29-15-33;1-15-11-19(25)30-21(26)20(15)22(35)27-7-3-16(2)33-8-4-18(5-9-33)34(12-17-6-10-37-13-17)24(36)31-23-28-14-29-32-23;1-15-12-20(25)28-22(26)21(15)23(34)27-8-4-16(2)31-9-5-19(6-10-31)32(13-18-7-11-36-14-18)24(35)30-29-17(3)33/h8,12-14,16,19,22H,5-7,9-11,15H2,1-4H3,(H,29,35)(H,31,36);9,15-16,18,20,23H,4-8,10-14,17H2,1-3H3,(H,29,35)(H,31,36);7,12-13,15,17,19-20H,3-6,8-11,14H2,1-2H3,(H,29,34)(H,30,36);6,12-13,16,18,20,22H,3-5,7-11,14-15H2,1-2H3,(H,29,34)(H,30,35);8,12-13,15,17-18,20H,5-7,9-11,14H2,1-4H3,(H,29,34)(H,30,36);6,10-11,13-15,17,19H,3-5,7-9,12H2,1-2H3,(H,27,35)(H,31,36);6,10-11,13-14,16,18H,3-5,7-9,12H2,1-2H3,(H,27,35)(H2,28,29,31,32,36);7,11-12,14,16,19H,4-6,8-10,13H2,1-3H3,(H,27,34)(H,29,33)(H,30,35)/t19-;20-;17-,20?;18-;17-,18+;17-;2*16-/m11111111/s1
InChIKeyUVXXXLVTCGOXFT-BVVJFPSGSA-N
MW4544.59 g/mol
LogP35.87
Rot. Bonds73

About N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate

N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate (PubChem CID 161208591) has the molecular formula C204H269Cl14N49O24S8 and a molecular weight of 4544.59 g/mol. Its IUPAC name is N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate.

Molecular Properties

Compound NameN-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate
PubChem CID161208591
Molecular FormulaC204H269Cl14N49O24S8
Molecular Weight4544.59 g/mol
Exact Mass4534.47
IUPAC NameN-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate
SMILESCC(=O)NNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.COC(=O)[C@H](C)NC(=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)NN2CCCC2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NC2CCOC2=O)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCC2OCCO2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ncn[nH]2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nn2cnnc2)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)on1
InChIInChI=1S/C27H35ClN6O3S.C27H39ClN6O2S.C26H33Cl2N5O4S.2C26H35Cl2N5O4S.2C24H30Cl2N8O2S.C24H32Cl2N6O3S/c1-17-13-23(28)30-20(4)25(17)26(35)29-9-5-19(3)33-10-6-22(7-11-33)34(15-21-8-12-38-16-21)27(36)31-24-14-18(2)32-37-24;1-19-16-24(28)30-21(3)25(19)26(35)29-10-6-20(2)32-13-7-23(8-14-32)34(17-22-9-15-37-18-22)27(36)31-33-11-4-5-12-33;1-16-13-21(27)31-23(28)22(16)24(34)29-8-3-17(2)32-9-4-19(5-10-32)33(14-18-7-12-38-15-18)26(36)30-20-6-11-37-25(20)35;1-17-13-21(27)31-24(28)23(17)25(34)29-7-3-18(2)32-8-4-20(5-9-32)33(15-19-6-12-38-16-19)26(35)30-14-22-36-10-11-37-22;1-16-13-21(27)31-23(28)22(16)24(34)29-9-5-17(2)32-10-6-20(7-11-32)33(14-19-8-12-38-15-19)26(36)30-18(3)25(35)37-4;1-16-11-20(25)30-22(26)21(16)23(35)27-7-3-17(2)32-8-4-19(5-9-32)34(12-18-6-10-37-13-18)24(36)31-33-14-28-29-15-33;1-15-11-19(25)30-21(26)20(15)22(35)27-7-3-16(2)33-8-4-18(5-9-33)34(12-17-6-10-37-13-17)24(36)31-23-28-14-29-32-23;1-15-12-20(25)28-22(26)21(15)23(34)27-8-4-16(2)31-9-5-19(6-10-31)32(13-18-7-11-36-14-18)24(35)30-29-17(3)33/h8,12-14,16,19,22H,5-7,9-11,15H2,1-4H3,(H,29,35)(H,31,36);9,15-16,18,20,23H,4-8,10-14,17H2,1-3H3,(H,29,35)(H,31,36);7,12-13,15,17,19-20H,3-6,8-11,14H2,1-2H3,(H,29,34)(H,30,36);6,12-13,16,18,20,22H,3-5,7-11,14-15H2,1-2H3,(H,29,34)(H,30,35);8,12-13,15,17-18,20H,5-7,9-11,14H2,1-4H3,(H,29,34)(H,30,36);6,10-11,13-15,17,19H,3-5,7-9,12H2,1-2H3,(H,27,35)(H,31,36);6,10-11,13-14,16,18H,3-5,7-9,12H2,1-2H3,(H,27,35)(H2,28,29,31,32,36);7,11-12,14,16,19H,4-6,8-10,13H2,1-3H3,(H,27,34)(H,29,33)(H,30,35)/t19-;20-;17-,20?;18-;17-,18+;17-;2*16-/m11111111/s1
InChIKeyUVXXXLVTCGOXFT-BVVJFPSGSA-N
XLogP35.87
TPSA822.27 Ų
H-Bond Donors18
H-Bond Acceptors55
Rotatable Bonds73
Heavy Atoms299
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004544.59
LogP ≤ 535.87
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1055

Analyze N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate with MolForge

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What is the IUPAC name of N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate?
The IUPAC name of N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate (CID 161208591) is N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate.
What is the SMILES notation for N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate?
The canonical SMILES for N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate is CC(=O)NNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.COC(=O)[C@H](C)NC(=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)NN2CCCC2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NC2CCOC2=O)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCC2OCCO2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ncn[nH]2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nn2cnnc2)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)on1.
What is the InChIKey of N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate?
The InChIKey is UVXXXLVTCGOXFT-BVVJFPSGSA-N. The full InChI is InChI=1S/C27H35ClN6O3S.C27H39ClN6O2S.C26H33Cl2N5O4S.2C26H35Cl2N5O4S.2C24H30Cl2N8O2S.C24H32Cl2N6O3S/c1-17-13-23(28)30-20(4)25(17)26(35)29-9-5-19(3)33-10-6-22(7-11-33)34(15-21-8-12-38-16-21)27(36)31-24-14-18(2)32-37-24;1-19-16-24(28)30-21(3)25(19)26(35)29-10-6-20(2)32-13-7-23(8-14-32)34(17-22-9-15-37-18-22)27(36)31-33-11-4-5-12-33;1-16-13-21(27)31-23(28)22(16)24(34)29-8-3-17(2)32-9-4-19(5-10-32)33(14-18-7-12-38-15-18)26(36)30-20-6-11-37-25(20)35;1-17-13-21(27)31-24(28)23(17)25(34)29-7-3-18(2)32-8-4-20(5-9-32)33(15-19-6-12-38-16-19)26(35)30-14-22-36-10-11-37-22;1-16-13-21(27)31-23(28)22(16)24(34)29-9-5-17(2)32-10-6-20(7-11-32)33(14-19-8-12-38-15-19)26(36)30-18(3)25(35)37-4;1-16-11-20(25)30-22(26)21(16)23(35)27-7-3-17(2)32-8-4-19(5-9-32)34(12-18-6-10-37-13-18)24(36)31-33-14-28-29-15-33;1-15-11-19(25)30-21(26)20(15)22(35)27-7-3-16(2)33-8-4-18(5-9-33)34(12-17-6-10-37-13-17)24(36)31-23-28-14-29-32-23;1-15-12-20(25)28-22(26)21(15)23(34)27-8-4-16(2)31-9-5-19(6-10-31)32(13-18-7-11-36-14-18)24(35)30-29-17(3)33/h8,12-14,16,19,22H,5-7,9-11,15H2,1-4H3,(H,29,35)(H,31,36);9,15-16,18,20,23H,4-8,10-14,17H2,1-3H3,(H,29,35)(H,31,36);7,12-13,15,17,19-20H,3-6,8-11,14H2,1-2H3,(H,29,34)(H,30,36);6,12-13,16,18,20,22H,3-5,7-11,14-15H2,1-2H3,(H,29,34)(H,30,35);8,12-13,15,17-18,20H,5-7,9-11,14H2,1-4H3,(H,29,34)(H,30,36);6,10-11,13-15,17,19H,3-5,7-9,12H2,1-2H3,(H,27,35)(H,31,36);6,10-11,13-14,16,18H,3-5,7-9,12H2,1-2H3,(H,27,35)(H2,28,29,31,32,36);7,11-12,14,16,19H,4-6,8-10,13H2,1-3H3,(H,27,34)(H,29,33)(H,30,35)/t19-;20-;17-,20?;18-;17-,18+;17-;2*16-/m11111111/s1.
What are the key properties of N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate?
N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate has a molecular weight of 4544.59 g/mol, XLogP of 35.87, 73 rotatable bonds, 18 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-oxooxolan-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1,2,4-triazol-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;methyl (2S)-2-[[[1-[(2R)-4-[(2,6-dichloro-4-methylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]propanoate is sourced from PubChem (CID 161208591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).