About 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide
2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide (PubChem CID 86967497) has the molecular formula C18H16N2O2
and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide.
Molecular Properties
| Compound Name | 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide |
| PubChem CID | 86967497 |
| Molecular Formula | C18H16N2O2 |
| Molecular Weight | 292.34 g/mol |
| Exact Mass | 292.12 |
| IUPAC Name | 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide |
| SMILES | CCOc1cc(C(=O)Nc2ccc3ccccc3c2)ccn1 |
| InChI | InChI=1S/C18H16N2O2/c1-2-22-17-12-15(9-10-19-17)18(21)20-16-8-7-13-5-3-4-6-14(13)11-16/h3-12H,2H2,1H3,(H,20,21) |
| InChIKey | BJVDWIZFCSGRRO-UHFFFAOYSA-N |
| XLogP | 3.89 |
| TPSA | 51.22 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 292.34 |
| LogP ≤ 5 | 3.89 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide (CID 86967497) is 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide is CCOc1cc(C(=O)Nc2ccc3ccccc3c2)ccn1.
What is the InChIKey of 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide?
The InChIKey is BJVDWIZFCSGRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-22-17-12-15(9-10-19-17)18(21)20-16-8-7-13-5-3-4-6-14(13)11-16/h3-12H,2H2,1H3,(H,20,21).
What are the key properties of 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide?
2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 86967497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).