2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide

C15H14N2O2 — CID 110478301

IUPAC2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide
SMILESCC(=O)C(=O)NCc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C15H14N2O2/c1-11(18)15(19)17-10-12-5-7-13(8-6-12)14-4-2-3-9-16-14/h2-9H,10H2,1H3,(H,17,19)
InChIKeyZHZPOFMNKGMMJI-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.95
Rot. Bonds4

About 2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide

2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide (PubChem CID 110478301) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide
PubChem CID110478301
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide
SMILESCC(=O)C(=O)NCc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C15H14N2O2/c1-11(18)15(19)17-10-12-5-7-13(8-6-12)14-4-2-3-9-16-14/h2-9H,10H2,1H3,(H,17,19)
InChIKeyZHZPOFMNKGMMJI-UHFFFAOYSA-N
XLogP1.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide?
The IUPAC name of 2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide (CID 110478301) is 2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide is CC(=O)C(=O)NCc1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide?
The InChIKey is ZHZPOFMNKGMMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11(18)15(19)17-10-12-5-7-13(8-6-12)14-4-2-3-9-16-14/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of 2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide?
2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide has a molecular weight of 254.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 110478301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).