C15H14IN3O2 — CID 8883957
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 8883957) has the molecular formula C15H14IN3O2 and a molecular weight of 395.20 g/mol. Its IUPAC name is N-[(Z)-1-(4-iodophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide.
| Compound Name | N-[(Z)-1-(4-iodophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide |
|---|---|
| PubChem CID | 8883957 |
| Molecular Formula | C15H14IN3O2 |
| Molecular Weight | 395.20 g/mol |
| Exact Mass | 395.01 |
| IUPAC Name | N-[(Z)-1-(4-iodophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide |
| SMILES | C/C(=N/NC(=O)Cn1ccccc1=O)c1ccc(I)cc1 |
| InChI | InChI=1S/C15H14IN3O2/c1-11(12-5-7-13(16)8-6-12)17-18-14(20)10-19-9-3-2-4-15(19)21/h2-9H,10H2,1H3,(H,18,20)/b17-11- |
| InChIKey | SOVVZAAXTNKFEV-BOPFTXTBSA-N |
| XLogP | 1.99 |
| TPSA | 63.46 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 21 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 395.20 |
| LogP ≤ 5 | 1.99 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|