C110H93F4N29O8 — CID 157134467
4-fluoro-N-[5-(2-fluorophenyl)-2-pyridinyl]benzamide;4-fluoro-N-(5-pyridin-3-yl-2-pyridinyl)benzamide;4-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide;1-methyl-N-(2-pyridin-2-ylpyrimidin-5-yl)imidazole-2-carboxamide;1-methyl-N-(2-pyridin-2-ylpyrimidin-5-yl)piperidine-4-carboxamide;1-methyl-N-(2-pyridin-2-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide;N-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide (PubChem CID 157134467) has the molecular formula C110H93F4N29O8 and a molecular weight of 2025.14 g/mol. Its IUPAC name is 4-fluoro-N-[5-(2-fluorophenyl)-2-pyridinyl]benzamide;4-fluoro-N-(5-pyridin-3-yl-2-pyridinyl)benzamide;4-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide;1-methyl-N-(2-pyridin-2-ylpyrimidin-5-yl)imidazole-2-carboxamide;1-methyl-N-(2-pyridin-2-ylpyrimidin-5-yl)piperidine-4-carboxamide;1-methyl-N-(2-pyridin-2-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide;N-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide.
| Compound Name | 4-fluoro-N-[5-(2-fluorophenyl)-2-pyridinyl]benzamide;4-fluoro-N-(5-pyridin-3-yl-2-pyridinyl)benzamide;4-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide;1-methyl-N-(2-pyridin-2-ylpyrimidin-5-yl)imidazole-2-carboxamide;1-methyl-N-(2-pyridin-2-ylpyrimidin-5-yl)piperidine-4-carboxamide;1-methyl-N-(2-pyridin-2-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide;N-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide |
|---|---|
| PubChem CID | 157134467 |
| Molecular Formula | C110H93F4N29O8 |
| Molecular Weight | 2025.14 g/mol |
| Exact Mass | 2023.77 |
| IUPAC Name | 4-fluoro-N-[5-(2-fluorophenyl)-2-pyridinyl]benzamide;4-fluoro-N-(5-pyridin-3-yl-2-pyridinyl)benzamide;4-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide;1-methyl-N-(2-pyridin-2-ylpyrimidin-5-yl)imidazole-2-carboxamide;1-methyl-N-(2-pyridin-2-ylpyrimidin-5-yl)piperidine-4-carboxamide;1-methyl-N-(2-pyridin-2-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide;N-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide |
| SMILES | CN1CCC(C(=O)Nc2cnc(-c3ccccn3)nc2)C1.CN1CCC(C(=O)Nc2cnc(-c3ccccn3)nc2)CC1.Cn1ccnc1C(=O)Nc1cnc(-c2ccccn2)nc1.O=C(Nc1ccc(-c2ccccc2F)cn1)c1ccc(F)cc1.O=C(Nc1ccc(-c2cccnc2)cn1)c1ccc(F)cc1.O=C(Nc1ccc(-c2cccnc2)nc1)c1ccc(F)cc1.O=C(Nc1cnc(-c2ccccn2)nc1)c1cnco1 |
| InChI | InChI=1S/C18H12F2N2O.2C17H12FN3O.C16H19N5O.C15H17N5O.C14H12N6O.C13H9N5O2/c19-14-8-5-12(6-9-14)18(23)22-17-10-7-13(11-21-17)15-3-1-2-4-16(15)20;18-15-6-3-12(4-7-15)17(22)21-16-8-5-14(11-20-16)13-2-1-9-19-10-13;18-14-5-3-12(4-6-14)17(22)21-15-7-8-16(20-11-15)13-2-1-9-19-10-13;1-21-8-5-12(6-9-21)16(22)20-13-10-18-15(19-11-13)14-4-2-3-7-17-14;1-20-7-5-11(10-20)15(21)19-12-8-17-14(18-9-12)13-4-2-3-6-16-13;1-20-7-6-16-13(20)14(21)19-10-8-17-12(18-9-10)11-4-2-3-5-15-11;19-13(11-7-14-8-20-11)18-9-5-16-12(17-6-9)10-3-1-2-4-15-10/h1-11H,(H,21,22,23);1-11H,(H,20,21,22);1-11H,(H,21,22);2-4,7,10-12H,5-6,8-9H2,1H3,(H,20,22);2-4,6,8-9,11H,5,7,10H2,1H3,(H,19,21);2-9H,1H3,(H,19,21);1-8H,(H,18,19) |
| InChIKey | AJLOOLPKQZBWOL-UHFFFAOYSA-N |
| XLogP | 17.90 |
| TPSA | 473.16 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 151 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2025.14 |
| LogP ≤ 5 | 17.90 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 30 |