About 2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide
2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 12894430) has the molecular formula C19H15ClN2O3
and a molecular weight of 354.79 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide |
| PubChem CID | 12894430 |
| Molecular Formula | C19H15ClN2O3 |
| Molecular Weight | 354.79 g/mol |
| Exact Mass | 354.08 |
| IUPAC Name | 2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide |
| SMILES | COc1ccc(NC(=O)c2cccnc2Oc2cccc(Cl)c2)cc1 |
| InChI | InChI=1S/C19H15ClN2O3/c1-24-15-9-7-14(8-10-15)22-18(23)17-6-3-11-21-19(17)25-16-5-2-4-13(20)12-16/h2-12H,1H3,(H,22,23) |
| InChIKey | PVYLWNYDTGMWGT-UHFFFAOYSA-N |
| XLogP | 4.79 |
| TPSA | 60.45 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 25 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 354.79 |
| LogP ≤ 5 | 4.79 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide (CID 12894430) is 2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2Oc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is PVYLWNYDTGMWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-24-15-9-7-14(8-10-15)22-18(23)17-6-3-11-21-19(17)25-16-5-2-4-13(20)12-16/h2-12H,1H3,(H,22,23).
What are the key properties of 2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 354.79 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 12894430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).