C78H63Cl6F3N12O7S — CID 158790649
5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylbenzamide (PubChem CID 158790649) has the molecular formula C78H63Cl6F3N12O7S and a molecular weight of 1582.22 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylbenzamide.
| Compound Name | 5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylbenzamide |
|---|---|
| PubChem CID | 158790649 |
| Molecular Formula | C78H63Cl6F3N12O7S |
| Molecular Weight | 1582.22 g/mol |
| Exact Mass | 1578.27 |
| IUPAC Name | 5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylbenzamide |
| SMILES | CCc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.Cc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1cnc(NCCO)c(Cl)c1 |
| InChI | InChI=1S/C20H15ClF3N3O.C20H17ClN2O.C19H16Cl2N4O2.C19H15Cl2N3O3S/c1-11-3-7-17(25-10-11)15-9-13(4-6-16(15)21)27-19(28)14-5-8-18(20(22,23)24)26-12(14)2;1-2-14-6-8-15(9-7-14)20(24)23-16-10-11-18(21)17(13-16)19-5-3-4-12-22-19;20-15-5-4-13(10-14(15)17-3-1-2-6-22-17)25-19(27)12-9-16(21)18(24-11-12)23-7-8-26;1-28(26,27)24-13-5-7-14(17(21)11-13)19(25)23-12-6-8-16(20)15(10-12)18-4-2-3-9-22-18/h3-10H,1-2H3,(H,27,28);3-13H,2H2,1H3,(H,23,24);1-6,9-11,26H,7-8H2,(H,23,24)(H,25,27);2-11,24H,1H3,(H,23,25) |
| InChIKey | ISFOVQQTYQAZEG-UHFFFAOYSA-N |
| XLogP | 19.69 |
| TPSA | 272.17 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 107 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1582.22 |
| LogP ≤ 5 | 19.69 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 14 |