About 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide
5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 63850514) has the molecular formula C8H10N2O3
and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide.
Molecular Properties
| Compound Name | 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide |
| PubChem CID | 63850514 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.18 g/mol |
| Exact Mass | 182.07 |
| IUPAC Name | 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide |
| SMILES | CON(C)C(=O)c1cncc(O)c1 |
| InChI | InChI=1S/C8H10N2O3/c1-10(13-2)8(12)6-3-7(11)5-9-4-6/h3-5,11H,1-2H3 |
| InChIKey | AGCBWHOCPUDGQY-UHFFFAOYSA-N |
| XLogP | 0.42 |
| TPSA | 62.66 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 182.18 |
| LogP ≤ 5 | 0.42 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide (CID 63850514) is 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide is CON(C)C(=O)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is AGCBWHOCPUDGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10(13-2)8(12)6-3-7(11)5-9-4-6/h3-5,11H,1-2H3.
What are the key properties of 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide?
5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 182.18 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 63850514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).