About 4-amino-N-methoxypyridine-2-carboxamide
4-amino-N-methoxypyridine-2-carboxamide (PubChem CID 170972703) has the molecular formula C7H9N3O2
and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-amino-N-methoxypyridine-2-carboxamide.
Molecular Properties
| Compound Name | 4-amino-N-methoxypyridine-2-carboxamide |
| PubChem CID | 170972703 |
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.17 g/mol |
| Exact Mass | 167.07 |
| IUPAC Name | 4-amino-N-methoxypyridine-2-carboxamide |
| SMILES | CONC(=O)c1cc(N)ccn1 |
| InChI | InChI=1S/C7H9N3O2/c1-12-10-7(11)6-4-5(8)2-3-9-6/h2-4H,1H3,(H2,8,9)(H,10,11) |
| InChIKey | YSRZIOLCMGJPLV-UHFFFAOYSA-N |
| XLogP | -0.05 |
| TPSA | 77.24 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 167.17 |
| LogP ≤ 5 | -0.05 |
| H-Bond Donors ≤ 5 | 2 |
| 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 4-amino-N-methoxypyridine-2-carboxamide?
The IUPAC name of 4-amino-N-methoxypyridine-2-carboxamide (CID 170972703) is 4-amino-N-methoxypyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-methoxypyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-methoxypyridine-2-carboxamide is CONC(=O)c1cc(N)ccn1.
What is the InChIKey of 4-amino-N-methoxypyridine-2-carboxamide?
The InChIKey is YSRZIOLCMGJPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-12-10-7(11)6-4-5(8)2-3-9-6/h2-4H,1H3,(H2,8,9)(H,10,11).
What are the key properties of 4-amino-N-methoxypyridine-2-carboxamide?
4-amino-N-methoxypyridine-2-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methoxypyridine-2-carboxamide is sourced from PubChem (CID 170972703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).