About 2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide
2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide (PubChem CID 115412694) has the molecular formula C15H14N4O2
and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide.
Molecular Properties
| Compound Name | 2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide |
| PubChem CID | 115412694 |
| Molecular Formula | C15H14N4O2 |
| Molecular Weight | 282.30 g/mol |
| Exact Mass | 282.11 |
| IUPAC Name | 2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide |
| SMILES | COc1ccc(C(=O)Nc2cccc3cn[nH]c23)c(N)c1 |
| InChI | InChI=1S/C15H14N4O2/c1-21-10-5-6-11(12(16)7-10)15(20)18-13-4-2-3-9-8-17-19-14(9)13/h2-8H,16H2,1H3,(H,17,19)(H,18,20) |
| InChIKey | KPAIFKIGJUAMJC-UHFFFAOYSA-N |
| XLogP | 2.41 |
| TPSA | 93.03 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 282.30 |
| LogP ≤ 5 | 2.41 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide?
The IUPAC name of 2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide (CID 115412694) is 2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc3cn[nH]c23)c(N)c1.
What is the InChIKey of 2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide?
The InChIKey is KPAIFKIGJUAMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-10-5-6-11(12(16)7-10)15(20)18-13-4-2-3-9-8-17-19-14(9)13/h2-8H,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide?
2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide has a molecular weight of 282.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide is sourced from PubChem (CID 115412694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).