C99H83F2N15O11S — CID 160864589
4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide (PubChem CID 160864589) has the molecular formula C99H83F2N15O11S and a molecular weight of 1728.91 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide.
| Compound Name | 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide |
|---|---|
| PubChem CID | 160864589 |
| Molecular Formula | C99H83F2N15O11S |
| Molecular Weight | 1728.91 g/mol |
| Exact Mass | 1727.61 |
| IUPAC Name | 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide |
| SMILES | CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.CCOc1cccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)c1.Cc1cccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)c1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(-c2ccccc2)cc1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(SC(F)F)cc1 |
| InChI | InChI=1S/C23H17N3O2.C21H21N3O2.C19H17N3O3.C18H13F2N3O2S.C18H15N3O2/c27-22(19-8-6-17(7-9-19)16-4-2-1-3-5-16)26-21-14-20(15-25-23(21)28)18-10-12-24-13-11-18;1-21(2,3)17-6-4-15(5-7-17)19(25)24-18-12-16(13-23-20(18)26)14-8-10-22-11-9-14;1-2-25-16-5-3-4-14(10-16)18(23)22-17-11-15(12-21-19(17)24)13-6-8-20-9-7-13;19-18(20)26-14-3-1-12(2-4-14)16(24)23-15-9-13(10-22-17(15)25)11-5-7-21-8-6-11;1-12-3-2-4-14(9-12)17(22)21-16-10-15(11-20-18(16)23)13-5-7-19-8-6-13/h1-15H,(H,25,28)(H,26,27);4-13H,1-3H3,(H,23,26)(H,24,25);3-12H,2H2,1H3,(H,21,24)(H,22,23);1-10,18H,(H,22,25)(H,23,24);2-11H,1H3,(H,20,23)(H,21,22) |
| InChIKey | SKYAOMLGUMSBAX-UHFFFAOYSA-N |
| XLogP | 18.43 |
| TPSA | 383.48 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 128 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1728.91 |
| LogP ≤ 5 | 18.43 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 17 |