C135H99Cl3F2N26O9 — CID 158864355
3-chloro-4-fluoro-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;3-chloro-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;4-chloro-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;4-fluoro-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;4-methoxy-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;N-(5-pyridin-2-yl-2-pyridinyl)benzamide;N-(5-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxamide;N-(5-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 158864355) has the molecular formula C135H99Cl3F2N26O9 and a molecular weight of 2373.80 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;3-chloro-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;4-chloro-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;4-fluoro-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;4-methoxy-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;N-(5-pyridin-2-yl-2-pyridinyl)benzamide;N-(5-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxamide;N-(5-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxamide.
| Compound Name | 3-chloro-4-fluoro-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;3-chloro-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;4-chloro-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;4-fluoro-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;4-methoxy-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;N-(5-pyridin-2-yl-2-pyridinyl)benzamide;N-(5-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxamide;N-(5-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158864355 |
| Molecular Formula | C135H99Cl3F2N26O9 |
| Molecular Weight | 2373.80 g/mol |
| Exact Mass | 2370.71 |
| IUPAC Name | 3-chloro-4-fluoro-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;3-chloro-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;4-chloro-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;4-fluoro-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;4-methoxy-N-(5-pyridin-2-yl-2-pyridinyl)benzamide;N-(5-pyridin-2-yl-2-pyridinyl)benzamide;N-(5-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxamide;N-(5-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxamide |
| SMILES | COc1ccc(C(=O)Nc2ccc(-c3ccccn3)cn2)cc1.O=C(Nc1ccc(-c2ccccn2)cn1)c1ccc(Cl)cc1.O=C(Nc1ccc(-c2ccccn2)cn1)c1ccc(F)c(Cl)c1.O=C(Nc1ccc(-c2ccccn2)cn1)c1ccc(F)cc1.O=C(Nc1ccc(-c2ccccn2)cn1)c1cccc(Cl)c1.O=C(Nc1ccc(-c2ccccn2)cn1)c1ccccc1.O=C(Nc1ccc(-c2ccccn2)cn1)c1ccccn1.O=C(Nc1ccc(-c2ccccn2)cn1)c1cccnc1 |
| InChI | InChI=1S/C18H15N3O2.C17H11ClFN3O.2C17H12ClN3O.C17H12FN3O.C17H13N3O.2C16H12N4O/c1-23-15-8-5-13(6-9-15)18(22)21-17-10-7-14(12-20-17)16-4-2-3-11-19-16;18-13-9-11(4-6-14(13)19)17(23)22-16-7-5-12(10-21-16)15-3-1-2-8-20-15;18-14-5-3-4-12(10-14)17(22)21-16-8-7-13(11-20-16)15-6-1-2-9-19-15;2*18-14-7-4-12(5-8-14)17(22)21-16-9-6-13(11-20-16)15-3-1-2-10-19-15;21-17(13-6-2-1-3-7-13)20-16-10-9-14(12-19-16)15-8-4-5-11-18-15;21-16(14-6-2-4-10-18-14)20-15-8-7-12(11-19-15)13-5-1-3-9-17-13;21-16(13-4-3-8-17-10-13)20-15-7-6-12(11-19-15)14-5-1-2-9-18-14/h2-12H,1H3,(H,20,21,22);1-10H,(H,21,22,23);3*1-11H,(H,20,21,22);1-12H,(H,19,20,21);2*1-11H,(H,19,20,21) |
| InChIKey | JBAUBMVYSDFALX-UHFFFAOYSA-N |
| XLogP | 28.20 |
| TPSA | 474.05 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 175 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2373.80 |
| LogP ≤ 5 | 28.20 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 27 |