About 2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide (PubChem CID 110475171) has the molecular formula C15H17N3O2
and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide |
| PubChem CID | 110475171 |
| Molecular Formula | C15H17N3O2 |
| Molecular Weight | 271.32 g/mol |
| Exact Mass | 271.13 |
| IUPAC Name | 2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide |
| SMILES | Cc1cc(O)ccc1NC(=O)c1cccnc1N(C)C |
| InChI | InChI=1S/C15H17N3O2/c1-10-9-11(19)6-7-13(10)17-15(20)12-5-4-8-16-14(12)18(2)3/h4-9,19H,1-3H3,(H,17,20) |
| InChIKey | RCSFEMCMANZLRR-UHFFFAOYSA-N |
| XLogP | 2.41 |
| TPSA | 65.46 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 271.32 |
| LogP ≤ 5 | 2.41 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroquinone', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide (CID 110475171) is 2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide is Cc1cc(O)ccc1NC(=O)c1cccnc1N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is RCSFEMCMANZLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-9-11(19)6-7-13(10)17-15(20)12-5-4-8-16-14(12)18(2)3/h4-9,19H,1-3H3,(H,17,20).
What are the key properties of 2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide?
2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 110475171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).