C118H124N24O7 — CID 158192030
6-(anilinomethyl)-4-phenyl-2-pyridin-3-yl-2H-pyridin-3-one;2-[benzyl(1H-imidazol-2-yl)amino]-1-pyridin-3-ylethanone;1-[benzyl(1H-imidazol-2-yl)amino]-3-pyridin-4-ylpropan-2-one;1-[butyl(1H-imidazol-2-yl)amino]-3-phenylpropan-2-one;2-[butyl(1H-imidazol-2-yl)amino]-1-pyridin-3-ylethanone;2-(cyclopenten-1-ylamino)-1-pyridin-3-ylethanone;1-[1H-imidazol-2-yl(pyridin-3-ylmethyl)amino]-3-phenylpropan-2-one (PubChem CID 158192030) has the molecular formula C118H124N24O7 and a molecular weight of 1990.45 g/mol. Its IUPAC name is 6-(anilinomethyl)-4-phenyl-2-pyridin-3-yl-2H-pyridin-3-one;2-[benzyl(1H-imidazol-2-yl)amino]-1-pyridin-3-ylethanone;1-[benzyl(1H-imidazol-2-yl)amino]-3-pyridin-4-ylpropan-2-one;1-[butyl(1H-imidazol-2-yl)amino]-3-phenylpropan-2-one;2-[butyl(1H-imidazol-2-yl)amino]-1-pyridin-3-ylethanone;2-(cyclopenten-1-ylamino)-1-pyridin-3-ylethanone;1-[1H-imidazol-2-yl(pyridin-3-ylmethyl)amino]-3-phenylpropan-2-one.
| Compound Name | 6-(anilinomethyl)-4-phenyl-2-pyridin-3-yl-2H-pyridin-3-one;2-[benzyl(1H-imidazol-2-yl)amino]-1-pyridin-3-ylethanone;1-[benzyl(1H-imidazol-2-yl)amino]-3-pyridin-4-ylpropan-2-one;1-[butyl(1H-imidazol-2-yl)amino]-3-phenylpropan-2-one;2-[butyl(1H-imidazol-2-yl)amino]-1-pyridin-3-ylethanone;2-(cyclopenten-1-ylamino)-1-pyridin-3-ylethanone;1-[1H-imidazol-2-yl(pyridin-3-ylmethyl)amino]-3-phenylpropan-2-one |
|---|---|
| PubChem CID | 158192030 |
| Molecular Formula | C118H124N24O7 |
| Molecular Weight | 1990.45 g/mol |
| Exact Mass | 1989.01 |
| IUPAC Name | 6-(anilinomethyl)-4-phenyl-2-pyridin-3-yl-2H-pyridin-3-one;2-[benzyl(1H-imidazol-2-yl)amino]-1-pyridin-3-ylethanone;1-[benzyl(1H-imidazol-2-yl)amino]-3-pyridin-4-ylpropan-2-one;1-[butyl(1H-imidazol-2-yl)amino]-3-phenylpropan-2-one;2-[butyl(1H-imidazol-2-yl)amino]-1-pyridin-3-ylethanone;2-(cyclopenten-1-ylamino)-1-pyridin-3-ylethanone;1-[1H-imidazol-2-yl(pyridin-3-ylmethyl)amino]-3-phenylpropan-2-one |
| SMILES | CCCCN(CC(=O)Cc1ccccc1)c1ncc[nH]1.CCCCN(CC(=O)c1cccnc1)c1ncc[nH]1.O=C(CN(Cc1ccccc1)c1ncc[nH]1)c1cccnc1.O=C(CNC1=CCCC1)c1cccnc1.O=C(Cc1ccccc1)CN(Cc1cccnc1)c1ncc[nH]1.O=C(Cc1ccncc1)CN(Cc1ccccc1)c1ncc[nH]1.O=C1C(c2ccccc2)=CC(CNc2ccccc2)=NC1c1cccnc1 |
| InChI | InChI=1S/C23H19N3O.2C18H18N4O.C17H16N4O.C16H21N3O.C14H18N4O.C12H14N2O/c27-23-21(17-8-3-1-4-9-17)14-20(16-25-19-11-5-2-6-12-19)26-22(23)18-10-7-13-24-15-18;23-17(11-15-5-2-1-3-6-15)14-22(18-20-9-10-21-18)13-16-7-4-8-19-12-16;23-17(12-15-6-8-19-9-7-15)14-22(18-20-10-11-21-18)13-16-4-2-1-3-5-16;22-16(15-7-4-8-18-11-15)13-21(17-19-9-10-20-17)12-14-5-2-1-3-6-14;1-2-3-11-19(16-17-9-10-18-16)13-15(20)12-14-7-5-4-6-8-14;1-2-3-9-18(14-16-7-8-17-14)11-13(19)12-5-4-6-15-10-12;15-12(10-4-3-7-13-8-10)9-14-11-5-1-2-6-11/h1-15,22,25H,16H2;1-10,12H,11,13-14H2,(H,20,21);1-11H,12-14H2,(H,20,21);1-11H,12-13H2,(H,19,20);4-10H,2-3,11-13H2,1H3,(H,17,18);4-8,10H,2-3,9,11H2,1H3,(H,16,17);3-5,7-8,14H,1-2,6,9H2 |
| InChIKey | FZWLSIDYPYBBSW-UHFFFAOYSA-N |
| XLogP | 19.33 |
| TPSA | 392.85 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 149 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1990.45 |
| LogP ≤ 5 | 19.33 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 26 |