C119H99ClF2N38O9S — CID 161150311
3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide (PubChem CID 161150311) has the molecular formula C119H99ClF2N38O9S and a molecular weight of 2310.87 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide.
| Compound Name | 3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide |
|---|---|
| PubChem CID | 161150311 |
| Molecular Formula | C119H99ClF2N38O9S |
| Molecular Weight | 2310.87 g/mol |
| Exact Mass | 2308.78 |
| IUPAC Name | 3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide |
| SMILES | CN1CCC(C(=O)Nc2cnc(-c3ccccn3)cn2)C1.CN1CCC(C(=O)Nc2cnc(-c3ccccn3)cn2)CC1.Cn1ccnc1C(=O)Nc1cnc(-c2ccccn2)cn1.O=C(Nc1cnc(-c2ccccn2)cn1)c1cnco1.O=C(Nc1cnc(-c2ccccn2)cn1)c1cncs1.O=C(Nc1ncc(-c2ccccn2)cn1)c1ccc(F)c(Cl)c1.O=C(Nc1ncc(-c2ccccn2)cn1)c1ccc(F)cc1.O=C(Nc1ncc(-c2ccccn2)cn1)c1ccccc1 |
| InChI | InChI=1S/C16H10ClFN4O.C16H11FN4O.C16H19N5O.C16H12N4O.C15H17N5O.C14H12N6O.C13H9N5O2.C13H9N5OS/c17-12-7-10(4-5-13(12)18)15(23)22-16-20-8-11(9-21-16)14-3-1-2-6-19-14;17-13-6-4-11(5-7-13)15(22)21-16-19-9-12(10-20-16)14-3-1-2-8-18-14;1-21-8-5-12(6-9-21)16(22)20-15-11-18-14(10-19-15)13-4-2-3-7-17-13;21-15(12-6-2-1-3-7-12)20-16-18-10-13(11-19-16)14-8-4-5-9-17-14;1-20-7-5-11(10-20)15(21)19-14-9-17-13(8-18-14)12-4-2-3-6-16-12;1-20-7-6-16-13(20)14(21)19-12-9-17-11(8-18-12)10-4-2-3-5-15-10;2*19-13(11-6-14-8-20-11)18-12-7-16-10(5-17-12)9-3-1-2-4-15-9/h1-9H,(H,20,21,22,23);1-10H,(H,19,20,21,22);2-4,7,10-12H,5-6,8-9H2,1H3,(H,19,20,22);1-11H,(H,18,19,20,21);2-4,6,8-9,11H,5,7,10H2,1H3,(H,18,19,21);2-9H,1H3,(H,18,19,21);2*1-8H,(H,17,18,19) |
| InChIKey | UOOZUUZKELUTNC-UHFFFAOYSA-N |
| XLogP | 18.10 |
| TPSA | 605.38 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 170 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2310.87 |
| LogP ≤ 5 | 18.10 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 40 |