2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide

C15H14N2O3 — CID 94280101

IUPAC2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
SMILESCOc1cccc(C(=O)C(=O)NCc2ccncc2)c1
InChIInChI=1S/C15H14N2O3/c1-20-13-4-2-3-12(9-13)14(18)15(19)17-10-11-5-7-16-8-6-11/h2-9H,10H2,1H3,(H,17,19)
InChIKeyZSBNMCCVKJOCDT-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.59
Rot. Bonds5

About 2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide

2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 94280101) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
PubChem CID94280101
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
SMILESCOc1cccc(C(=O)C(=O)NCc2ccncc2)c1
InChIInChI=1S/C15H14N2O3/c1-20-13-4-2-3-12(9-13)14(18)15(19)17-10-11-5-7-16-8-6-11/h2-9H,10H2,1H3,(H,17,19)
InChIKeyZSBNMCCVKJOCDT-UHFFFAOYSA-N
XLogP1.59
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
CID 18704760
1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 11276228
3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055230
3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 81089949
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 2272217
2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide
CID 82114479
3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(pyridin-4-ylmethyl)benzamide
CID 3903388
3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993687
5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191536
3-methoxy-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 110785783
N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide (CID 94280101) is 2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide is COc1cccc(C(=O)C(=O)NCc2ccncc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is ZSBNMCCVKJOCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-20-13-4-2-3-12(9-13)14(18)15(19)17-10-11-5-7-16-8-6-11/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of 2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 270.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 94280101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).