About N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide (PubChem CID 6173282) has the molecular formula C19H17N3O2
and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide.
Molecular Properties
| Compound Name | N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide |
| PubChem CID | 6173282 |
| Molecular Formula | C19H17N3O2 |
| Molecular Weight | 319.36 g/mol |
| Exact Mass | 319.13 |
| IUPAC Name | N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide |
| SMILES | COc1ccc2cc(/C(C)=N\NC(=O)c3ccncc3)ccc2c1 |
| InChI | InChI=1S/C19H17N3O2/c1-13(21-22-19(23)14-7-9-20-10-8-14)15-3-4-17-12-18(24-2)6-5-16(17)11-15/h3-12H,1-2H3,(H,22,23)/b21-13- |
| InChIKey | PTNMAEPHZDDMEF-BKUYFWCQSA-N |
| XLogP | 3.40 |
| TPSA | 63.58 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 319.36 |
| LogP ≤ 5 | 3.40 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide (CID 6173282) is N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide is COc1ccc2cc(/C(C)=N\NC(=O)c3ccncc3)ccc2c1.
What is the InChIKey of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide?
The InChIKey is PTNMAEPHZDDMEF-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13(21-22-19(23)14-7-9-20-10-8-14)15-3-4-17-12-18(24-2)6-5-16(17)11-15/h3-12H,1-2H3,(H,22,23)/b21-13-.
What are the key properties of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide?
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6173282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).