C100H75Cl6FN16O9S2 — CID 159749218
6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide (PubChem CID 159749218) has the molecular formula C100H75Cl6FN16O9S2 and a molecular weight of 1940.65 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide.
| Compound Name | 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide |
|---|---|
| PubChem CID | 159749218 |
| Molecular Formula | C100H75Cl6FN16O9S2 |
| Molecular Weight | 1940.65 g/mol |
| Exact Mass | 1936.35 |
| IUPAC Name | 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide |
| SMILES | CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.Cc1c(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cnn1-c1ccc(F)cc1.Cc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1ncc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(-c2ccccc2)n1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cl)nc1 |
| InChI | InChI=1S/C23H17ClN4O.C22H16ClFN4O.C20H17ClN2O3S.C18H14ClN3O3S.C17H11Cl2N3O/c1-15-26-14-19(22(27-15)16-7-3-2-4-8-16)23(29)28-17-10-11-20(24)18(13-17)21-9-5-6-12-25-21;1-14-19(13-26-28(14)17-8-5-15(24)6-9-17)22(29)27-16-7-10-20(23)18(12-16)21-4-2-3-11-25-21;1-13-11-15(27(2,25)26)7-8-16(13)20(24)23-14-6-9-18(21)17(12-14)19-5-3-4-10-22-19;1-26(24,25)17-8-5-12(11-21-17)18(23)22-13-6-7-15(19)14(10-13)16-4-2-3-9-20-16;18-14-6-5-12(9-13(14)15-3-1-2-8-20-15)22-17(23)11-4-7-16(19)21-10-11/h2-14H,1H3,(H,28,29);2-13H,1H3,(H,27,29);3-12H,1-2H3,(H,23,24);2-11H,1H3,(H,22,23);1-10H,(H,22,23) |
| InChIKey | NDLBXKQHFOORMT-UHFFFAOYSA-N |
| XLogP | 23.23 |
| TPSA | 347.61 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 134 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1940.65 |
| LogP ≤ 5 | 23.23 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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