C136H118Cl8F3N27O15 — CID 159130032
N-(3-benzamido-4-chlorophenyl)-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-morpholin-4-ylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(4-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-4-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;N-[4-chloro-3-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 159130032) has the molecular formula C136H118Cl8F3N27O15 and a molecular weight of 2711.23 g/mol. Its IUPAC name is N-(3-benzamido-4-chlorophenyl)-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-morpholin-4-ylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(4-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-4-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;N-[4-chloro-3-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
| Compound Name | N-(3-benzamido-4-chlorophenyl)-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-morpholin-4-ylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(4-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-4-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;N-[4-chloro-3-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 159130032 |
| Molecular Formula | C136H118Cl8F3N27O15 |
| Molecular Weight | 2711.23 g/mol |
| Exact Mass | 2705.68 |
| IUPAC Name | N-(3-benzamido-4-chlorophenyl)-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-morpholin-4-ylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(4-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-(pyridine-4-carbonylamino)phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;N-[4-chloro-3-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide |
| SMILES | C[C@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4)c3)cn2)CCN1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-n3cncn3)cc2)c1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)nc1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(N2CCC(O)CC2)nc1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(N2CCOCC2)nc1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccncc2)c1)c1ccc(N2CCC(O)CC2)nc1 |
| InChI | InChI=1S/C24H24ClN5O2.C24H23ClN4O3.C23H16ClF3N6O2.C23H22ClN5O3.C23H21ClN4O3.C19H12Cl3N3O2/c1-16-15-30(12-11-26-16)22-10-7-18(14-27-22)24(32)28-19-8-9-20(25)21(13-19)29-23(31)17-5-3-2-4-6-17;25-20-8-7-18(14-21(20)28-23(31)16-4-2-1-3-5-16)27-24(32)17-6-9-22(26-15-17)29-12-10-19(30)11-13-29;1-13-17(7-9-20(30-13)23(25,26)27)22(35)31-15-4-8-18(24)19(10-15)32-21(34)14-2-5-16(6-3-14)33-12-28-11-29-33;24-19-3-2-17(13-20(19)28-22(31)15-5-9-25-10-6-15)27-23(32)16-1-4-21(26-14-16)29-11-7-18(30)8-12-29;24-19-8-7-18(14-20(19)27-22(29)16-4-2-1-3-5-16)26-23(30)17-6-9-21(25-15-17)28-10-12-31-13-11-28;20-13-4-1-11(2-5-13)18(26)25-16-9-14(6-7-15(16)21)24-19(27)12-3-8-17(22)23-10-12/h2-10,13-14,16,26H,11-12,15H2,1H3,(H,28,32)(H,29,31);1-9,14-15,19,30H,10-13H2,(H,27,32)(H,28,31);2-12H,1H3,(H,31,35)(H,32,34);1-6,9-10,13-14,18,30H,7-8,11-12H2,(H,27,32)(H,28,31);1-9,14-15H,10-13H2,(H,26,30)(H,27,29);1-10H,(H,24,27)(H,25,26)/t16-;;;;;/m0...../s1 |
| InChIKey | KGTQOKBDLSUYKR-KVDBKFDSSA-N |
| XLogP | 26.60 |
| TPSA | 544.82 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 189 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2711.23 |
| LogP ≤ 5 | 26.60 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
|---|