About N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide
N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide (PubChem CID 60727615) has the molecular formula C14H14N2O2
and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide.
Molecular Properties
| Compound Name | N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide |
| PubChem CID | 60727615 |
| Molecular Formula | C14H14N2O2 |
| Molecular Weight | 242.28 g/mol |
| Exact Mass | 242.11 |
| IUPAC Name | N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2cccc(C)n2)c(O)c1 |
| InChI | InChI=1S/C14H14N2O2/c1-9-6-7-11(13(17)8-9)16-14(18)12-5-3-4-10(2)15-12/h3-8,17H,1-2H3,(H,16,18) |
| InChIKey | FOQVDHPGUWWGOF-UHFFFAOYSA-N |
| XLogP | 2.66 |
| TPSA | 62.22 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 242.28 |
| LogP ≤ 5 | 2.66 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'catechol', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide (CID 60727615) is N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide is Cc1ccc(NC(=O)c2cccc(C)n2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide?
The InChIKey is FOQVDHPGUWWGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-6-7-11(13(17)8-9)16-14(18)12-5-3-4-10(2)15-12/h3-8,17H,1-2H3,(H,16,18).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide?
N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 60727615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).