C89H93N21O10 — CID 157143904
N-[5-[2,6-bis(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-(hydroxymethyl)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;(E)-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-methyl-6-[6-oxo-5-[(4-piperidin-1-ylbenzoyl)amino]-1H-pyridin-3-yl]pyridine-2-carboxamide (PubChem CID 157143904) has the molecular formula C89H93N21O10 and a molecular weight of 1616.86 g/mol. Its IUPAC name is N-[5-[2,6-bis(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-(hydroxymethyl)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;(E)-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-methyl-6-[6-oxo-5-[(4-piperidin-1-ylbenzoyl)amino]-1H-pyridin-3-yl]pyridine-2-carboxamide.
| Compound Name | N-[5-[2,6-bis(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-(hydroxymethyl)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;(E)-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-methyl-6-[6-oxo-5-[(4-piperidin-1-ylbenzoyl)amino]-1H-pyridin-3-yl]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 157143904 |
| Molecular Formula | C89H93N21O10 |
| Molecular Weight | 1616.86 g/mol |
| Exact Mass | 1615.74 |
| IUPAC Name | N-[5-[2,6-bis(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-(hydroxymethyl)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;(E)-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-methyl-6-[6-oxo-5-[(4-piperidin-1-ylbenzoyl)amino]-1H-pyridin-3-yl]pyridine-2-carboxamide |
| SMILES | CNC(=O)c1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.CNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)nc(NC)n1.CNc1nccc(-c2c[nH]c(=O)c(NC(=O)/C=C/c3ccccc3)c2)n1.O=C(Nc1cc(-c2cccc(CO)n2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1 |
| InChI | InChI=1S/C24H25N5O3.C23H27N7O2.C23H24N4O3.C19H17N5O2/c1-25-23(31)20-7-5-6-19(27-20)17-14-21(24(32)26-15-17)28-22(30)16-8-10-18(11-9-16)29-12-3-2-4-13-29;1-24-20-13-18(28-23(25-2)29-20)16-12-19(22(32)26-14-16)27-21(31)15-6-8-17(9-7-15)30-10-4-3-5-11-30;28-15-18-5-4-6-20(25-18)17-13-21(23(30)24-14-17)26-22(29)16-7-9-19(10-8-16)27-11-2-1-3-12-27;1-20-19-21-10-9-15(24-19)14-11-16(18(26)22-12-14)23-17(25)8-7-13-5-3-2-4-6-13/h5-11,14-15H,2-4,12-13H2,1H3,(H,25,31)(H,26,32)(H,28,30);6-9,12-14H,3-5,10-11H2,1-2H3,(H,26,32)(H,27,31)(H2,24,25,28,29);4-10,13-14,28H,1-3,11-12,15H2,(H,24,30)(H,26,29);2-12H,1H3,(H,22,26)(H,23,25)(H,20,21,24)/b;;;8-7+ |
| InChIKey | AKMMQTKHANHFSC-YZDANZFASA-N |
| XLogP | 11.89 |
| TPSA | 420.32 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 120 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1616.86 |
| LogP ≤ 5 | 11.89 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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