C114H97N15O12 — CID 157128435
N-(3-benzoylphenyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;N-(3-benzylphenyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2-oxo-N-(2-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide (PubChem CID 157128435) has the molecular formula C114H97N15O12 and a molecular weight of 1869.12 g/mol. Its IUPAC name is N-(3-benzoylphenyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;N-(3-benzylphenyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2-oxo-N-(2-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide.
| Compound Name | N-(3-benzoylphenyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;N-(3-benzylphenyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2-oxo-N-(2-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide |
|---|---|
| PubChem CID | 157128435 |
| Molecular Formula | C114H97N15O12 |
| Molecular Weight | 1869.12 g/mol |
| Exact Mass | 1867.74 |
| IUPAC Name | N-(3-benzoylphenyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;N-(3-benzylphenyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2-oxo-N-(2-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide |
| SMILES | CC(CNC(=O)c1cc(-c2ccncc2)c[nH]c1=O)c1ccccc1.COc1ccccc1CCNC(=O)c1cc(-c2ccncc2)c[nH]c1=O.O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(-c2ccncc2)c[nH]c1=O.O=C(Nc1cccc(Cc2ccccc2)c1)c1cc(-c2ccncc2)c[nH]c1=O.O=C(c1ccccc1)c1cccc(NC(=O)c2cc(-c3ccncc3)c[nH]c2=O)c1 |
| InChI | InChI=1S/C26H23N3O2.C24H17N3O3.C24H19N3O2.C20H19N3O3.C20H19N3O2/c30-25(24-17-22(18-29-26(24)31)19-11-14-27-15-12-19)28-16-13-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21;28-22(17-5-2-1-3-6-17)18-7-4-8-20(13-18)27-24(30)21-14-19(15-26-23(21)29)16-9-11-25-12-10-16;28-23-22(15-20(16-26-23)19-9-11-25-12-10-19)24(29)27-21-8-4-7-18(14-21)13-17-5-2-1-3-6-17;1-26-18-5-3-2-4-15(18)8-11-22-19(24)17-12-16(13-23-20(17)25)14-6-9-21-10-7-14;1-14(15-5-3-2-4-6-15)12-22-19(24)18-11-17(13-23-20(18)25)16-7-9-21-10-8-16/h1-12,14-15,17-18,23H,13,16H2,(H,28,30)(H,29,31);1-15H,(H,26,29)(H,27,30);1-12,14-16H,13H2,(H,26,28)(H,27,29);2-7,9-10,12-13H,8,11H2,1H3,(H,22,24)(H,23,25);2-11,13-14H,12H2,1H3,(H,22,24)(H,23,25) |
| InChIKey | AITUIWBLOMUPOH-UHFFFAOYSA-N |
| XLogP | 17.98 |
| TPSA | 400.55 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 141 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1869.12 |
| LogP ≤ 5 | 17.98 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 17 |