C122H122N12O11 — CID 160775411
N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-[2-[4-[1-(methylamino)ethenyl]piperazin-1-yl]phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide (PubChem CID 160775411) has the molecular formula C122H122N12O11 and a molecular weight of 1932.39 g/mol. Its IUPAC name is N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-[2-[4-[1-(methylamino)ethenyl]piperazin-1-yl]phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide.
| Compound Name | N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-[2-[4-[1-(methylamino)ethenyl]piperazin-1-yl]phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide |
|---|---|
| PubChem CID | 160775411 |
| Molecular Formula | C122H122N12O11 |
| Molecular Weight | 1932.39 g/mol |
| Exact Mass | 1930.94 |
| IUPAC Name | N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-[2-[4-[1-(methylamino)ethenyl]piperazin-1-yl]phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide |
| SMILES | C=C(NC)N1CCN(c2ccccc2CC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1.COc1ncccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1.Cc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccn1.Cc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccnc1.Cc1ncccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1 |
| InChI | InChI=1S/C30H34N4O2.C23H22N2O3.3C23H22N2O2/c1-23(31-2)33-17-19-34(20-18-33)28-16-10-9-15-26(28)22-29(35)27(21-24-11-5-3-6-12-24)32-30(36)25-13-7-4-8-14-25;1-28-23-19(13-8-14-24-23)16-21(26)20(15-17-9-4-2-5-10-17)25-22(27)18-11-6-3-7-12-18;1-17-20(13-8-14-24-17)16-22(26)21(15-18-9-4-2-5-10-18)25-23(27)19-11-6-3-7-12-19;1-17-9-5-6-12-19(17)16-22(26)21(15-18-10-3-2-4-11-18)25-23(27)20-13-7-8-14-24-20;1-17-8-5-6-11-19(17)15-22(26)21(14-18-9-3-2-4-10-18)25-23(27)20-12-7-13-24-16-20/h3-16,27,31H,1,17-22H2,2H3,(H,32,36);2-14,20H,15-16H2,1H3,(H,25,27);2*2-14,21H,15-16H2,1H3,(H,25,27);2-13,16,21H,14-15H2,1H3,(H,25,27) |
| InChIKey | RZWMBDPQVZPQCU-UHFFFAOYSA-N |
| XLogP | 17.52 |
| TPSA | 310.15 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 145 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1932.39 |
| LogP ≤ 5 | 17.52 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 18 |