C104H77Cl3F3N19O6 — CID 157413403
N-[5-(2-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(4-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;2-methyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide;N-[5-[5-methyl-2-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-3-carboxamide;N-(5-phenyl-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 157413403) has the molecular formula C104H77Cl3F3N19O6 and a molecular weight of 1852.24 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(4-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;2-methyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide;N-[5-[5-methyl-2-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-3-carboxamide;N-(5-phenyl-2-pyridinyl)pyridine-3-carboxamide.
| Compound Name | N-[5-(2-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(4-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;2-methyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide;N-[5-[5-methyl-2-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-3-carboxamide;N-(5-phenyl-2-pyridinyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 157413403 |
| Molecular Formula | C104H77Cl3F3N19O6 |
| Molecular Weight | 1852.24 g/mol |
| Exact Mass | 1849.53 |
| IUPAC Name | N-[5-(2-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(4-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;2-methyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide;N-[5-[5-methyl-2-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-3-carboxamide;N-(5-phenyl-2-pyridinyl)pyridine-3-carboxamide |
| SMILES | Cc1ccc(C(F)(F)F)c(-c2ccc(NC(=O)c3cccnc3)nc2)c1.Cc1ncc(C(=O)Nc2ccc(-c3ccccc3)cn2)cn1.O=C(Nc1ccc(-c2ccc(Cl)cc2)cn1)c1cccnc1.O=C(Nc1ccc(-c2cccc(Cl)c2)cn1)c1cccnc1.O=C(Nc1ccc(-c2ccccc2)cn1)c1cccnc1.O=C(Nc1ccc(-c2ccccc2Cl)cn1)c1cccnc1 |
| InChI | InChI=1S/C19H14F3N3O.3C17H12ClN3O.C17H14N4O.C17H13N3O/c1-12-4-6-16(19(20,21)22)15(9-12)13-5-7-17(24-11-13)25-18(26)14-3-2-8-23-10-14;18-15-5-1-3-12(9-15)13-6-7-16(20-11-13)21-17(22)14-4-2-8-19-10-14;18-15-6-3-12(4-7-15)13-5-8-16(20-11-13)21-17(22)14-2-1-9-19-10-14;18-15-6-2-1-5-14(15)12-7-8-16(20-11-12)21-17(22)13-4-3-9-19-10-13;1-12-18-10-15(11-19-12)17(22)21-16-8-7-14(9-20-16)13-5-3-2-4-6-13;21-17(15-7-4-10-18-11-15)20-16-9-8-14(12-19-16)13-5-2-1-3-6-13/h2-11H,1H3,(H,24,25,26);3*1-11H,(H,20,21,22);2-11H,1H3,(H,20,21,22);1-12H,(H,19,20,21) |
| InChIKey | BOOBSSPKBBUUFV-UHFFFAOYSA-N |
| XLogP | 23.37 |
| TPSA | 342.17 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 135 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1852.24 |
| LogP ≤ 5 | 23.37 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 19 |