About N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide
N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide (PubChem CID 105063564) has the molecular formula C15H14N2O3
and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide.
Molecular Properties
| Compound Name | N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide |
| PubChem CID | 105063564 |
| Molecular Formula | C15H14N2O3 |
| Molecular Weight | 270.29 g/mol |
| Exact Mass | 270.10 |
| IUPAC Name | N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide |
| SMILES | COc1cnccc1C(=O)Nc1cccc(C(C)=O)c1 |
| InChI | InChI=1S/C15H14N2O3/c1-10(18)11-4-3-5-12(8-11)17-15(19)13-6-7-16-9-14(13)20-2/h3-9H,1-2H3,(H,17,19) |
| InChIKey | KFLAMUSTLZYOJU-UHFFFAOYSA-N |
| XLogP | 2.55 |
| TPSA | 68.29 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 270.29 |
| LogP ≤ 5 | 2.55 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide (CID 105063564) is N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide?
The InChIKey is KFLAMUSTLZYOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10(18)11-4-3-5-12(8-11)17-15(19)13-6-7-16-9-14(13)20-2/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide?
N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105063564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).