About 2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide
2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide (PubChem CID 59783787) has the molecular formula C19H15FN2O2
and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide |
| PubChem CID | 59783787 |
| Molecular Formula | C19H15FN2O2 |
| Molecular Weight | 322.34 g/mol |
| Exact Mass | 322.11 |
| IUPAC Name | 2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide |
| SMILES | O=C(Nc1ccccc1OCc1ccccc1)c1cccnc1F |
| InChI | InChI=1S/C19H15FN2O2/c20-18-15(9-6-12-21-18)19(23)22-16-10-4-5-11-17(16)24-13-14-7-2-1-3-8-14/h1-12H,13H2,(H,22,23) |
| InChIKey | FSEWWUFTOGVSDZ-UHFFFAOYSA-N |
| XLogP | 4.05 |
| TPSA | 51.22 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 322.34 |
| LogP ≤ 5 | 4.05 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide (CID 59783787) is 2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide is O=C(Nc1ccccc1OCc1ccccc1)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is FSEWWUFTOGVSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c20-18-15(9-6-12-21-18)19(23)22-16-10-4-5-11-17(16)24-13-14-7-2-1-3-8-14/h1-12H,13H2,(H,22,23).
What are the key properties of 2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide?
2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 59783787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).