C112H84BrCl2F4N19O13 — CID 160880057
3-bromo-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,3-dichloro-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(dimethylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2-fluoro-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-(trifluoromethyl)benzamide (PubChem CID 160880057) has the molecular formula C112H84BrCl2F4N19O13 and a molecular weight of 2130.83 g/mol. Its IUPAC name is 3-bromo-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,3-dichloro-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(dimethylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2-fluoro-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-(trifluoromethyl)benzamide.
| Compound Name | 3-bromo-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,3-dichloro-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(dimethylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2-fluoro-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 160880057 |
| Molecular Formula | C112H84BrCl2F4N19O13 |
| Molecular Weight | 2130.83 g/mol |
| Exact Mass | 2127.50 |
| IUPAC Name | 3-bromo-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,3-dichloro-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(dimethylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2-fluoro-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-(trifluoromethyl)benzamide |
| SMILES | CN(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(OCc2ccccc2)cc1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1cccc(Br)c1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1cccc(C(F)(F)F)c1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1cccc(Cl)c1Cl.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccccc1F |
| InChI | InChI=1S/C24H19N3O3.C19H18N4O2.C18H12F3N3O2.C17H12BrN3O2.C17H11Cl2N3O2.C17H12FN3O2/c28-23(19-6-8-21(9-7-19)30-16-17-4-2-1-3-5-17)27-22-14-20(15-26-24(22)29)18-10-12-25-13-11-18;1-23(2)16-5-3-14(4-6-16)18(24)22-17-11-15(12-21-19(17)25)13-7-9-20-10-8-13;19-18(20,21)14-3-1-2-12(8-14)16(25)24-15-9-13(10-23-17(15)26)11-4-6-22-7-5-11;18-14-3-1-2-12(8-14)16(22)21-15-9-13(10-20-17(15)23)11-4-6-19-7-5-11;18-13-3-1-2-12(15(13)19)16(23)22-14-8-11(9-21-17(14)24)10-4-6-20-7-5-10;18-14-4-2-1-3-13(14)16(22)21-15-9-12(10-20-17(15)23)11-5-7-19-8-6-11/h1-15H,16H2,(H,26,29)(H,27,28);3-12H,1-2H3,(H,21,25)(H,22,24);1-10H,(H,23,26)(H,24,25);1-10H,(H,20,23)(H,21,22);1-9H,(H,21,24)(H,22,23);1-10H,(H,20,23)(H,21,22) |
| InChIKey | SMXKGSTZIPPHAM-UHFFFAOYSA-N |
| XLogP | 21.01 |
| TPSA | 461.57 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 151 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2130.83 |
| LogP ≤ 5 | 21.01 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 20 |