C20H16N4O2 — CID 129052097
3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide (PubChem CID 129052097) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide.
| Compound Name | 3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide |
|---|---|
| PubChem CID | 129052097 |
| Molecular Formula | C20H16N4O2 |
| Molecular Weight | 344.37 g/mol |
| Exact Mass | 344.13 |
| IUPAC Name | 3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide |
| SMILES | NC(=O)c1cccc(Cn2cc(-c3ccc4cn[nH]c4c3)ccc2=O)c1 |
| InChI | InChI=1S/C20H16N4O2/c21-20(26)15-3-1-2-13(8-15)11-24-12-17(6-7-19(24)25)14-4-5-16-10-22-23-18(16)9-14/h1-10,12H,11H2,(H2,21,26)(H,22,23) |
| InChIKey | JSXSJAZHNLZZFG-UHFFFAOYSA-N |
| XLogP | 2.54 |
| TPSA | 93.77 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 26 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 344.37 |
| LogP ≤ 5 | 2.54 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |