About 6-chloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(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;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
6-chloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(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;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 162257167) has the molecular formula C133H175Cl7N32O15S5
and a molecular weight of 2870.58 g/mol. Its IUPAC name is 6-chloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(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;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.
Frequently Asked Questions
What is the IUPAC name of 6-chloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(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;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 6-chloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(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;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 162257167) is 6-chloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(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;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 6-chloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(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;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 6-chloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(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;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 COC(=O)[C@H](C)NC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(C#N)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2onc(C)c2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2onc(C)c2C)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NN2CCOCC2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ncn[nH]2)CC1.
What is the InChIKey of 6-chloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(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;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 ZYTBYXKSMSUVCO-VHJBGGOYSA-N. The full InChI is InChI=1S/C29H37N7O3S.C28H37ClN6O3S.C26H36Cl2N6O3S.C26H35Cl2N5O4S.C24H30Cl2N8O2S/c1-18-14-24(15-30)32-22(5)26(18)27(37)31-10-6-19(2)35-11-7-25(8-12-35)36(16-23-9-13-40-17-23)29(38)33-28-20(3)21(4)34-39-28;1-17-14-24(29)31-21(5)25(17)26(36)30-10-6-18(2)34-11-7-23(8-12-34)35(15-22-9-13-39-16-22)28(37)32-27-19(3)20(4)33-38-27;1-18-15-22(27)30-24(28)23(18)25(35)29-7-3-19(2)32-8-4-21(5-9-32)34(16-20-6-14-38-17-20)26(36)31-33-10-12-37-13-11-33;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;1-15-11-19(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/h9,13-14,17,19,25H,6-8,10-12,16H2,1-5H3,(H,31,37)(H,33,38);9,13-14,16,18,23H,6-8,10-12,15H2,1-5H3,(H,30,36)(H,32,37);6,14-15,17,19,21H,3-5,7-13,16H2,1-2H3,(H,29,35)(H,31,36);8,12-13,15,17-18,20H,5-7,9-11,14H2,1-4H3,(H,29,34)(H,30,36);6,10-11,13-14,16,18H,3-5,7-9,12H2,1-2H3,(H,27,35)(H2,28,29,31,32,36)/t19-;18-;19-;17-,18+;16-/m11111/s1.
What are the key properties of 6-chloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(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;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?
6-chloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(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;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 2870.58 g/mol, XLogP of 23.95, 46 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(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;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 162257167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).