C97H63Cl7F18N14O8S — CID 158330682
N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 158330682) has the molecular formula C97H63Cl7F18N14O8S and a molecular weight of 2174.86 g/mol. Its IUPAC name is N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
| Compound Name | N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158330682 |
| Molecular Formula | C97H63Cl7F18N14O8S |
| Molecular Weight | 2174.86 g/mol |
| Exact Mass | 2170.22 |
| IUPAC Name | N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide |
| SMILES | CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(C(F)(F)F)cn3)c2)cc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(C(F)(F)F)cn2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(Cl)cn2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(O)cn2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cccc(Cl)n2)c1 |
| InChI | InChI=1S/C20H12ClF6N3O.C20H14ClF3N2O3S.2C19H12Cl2F3N3O.C19H13ClF3N3O2/c1-10-13(4-7-17(29-10)20(25,26)27)18(31)30-12-3-5-15(21)14(8-12)16-6-2-11(9-28-16)19(22,23)24;1-30(28,29)15-6-2-12(3-7-15)19(27)26-14-5-8-17(21)16(10-14)18-9-4-13(11-25-18)20(22,23)24;1-10-13(4-7-17(26-10)19(22,23)24)18(28)27-12-3-5-15(21)14(8-12)16-6-2-11(20)9-25-16;1-10-12(6-8-16(25-10)19(22,23)24)18(28)26-11-5-7-14(20)13(9-11)15-3-2-4-17(21)27-15;1-10-13(4-7-17(25-10)19(21,22)23)18(28)26-11-2-5-15(20)14(8-11)16-6-3-12(27)9-24-16/h2-9H,1H3,(H,30,31);2-11H,1H3,(H,26,27);2-9H,1H3,(H,27,28);2-9H,1H3,(H,26,28);2-9,27H,1H3,(H,26,28) |
| InChIKey | GPYUWHLCCJDWFS-UHFFFAOYSA-N |
| XLogP | 28.61 |
| TPSA | 315.88 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 145 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2174.86 |
| LogP ≤ 5 | 28.61 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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