3-oxo-N-phenyl-4-pyridin-3-ylbutanamide

C15H14N2O2 — CID 131865555

IUPAC3-oxo-N-phenyl-4-pyridin-3-ylbutanamide
SMILESO=C(CC(=O)Nc1ccccc1)Cc1cccnc1
InChIInChI=1S/C15H14N2O2/c18-14(9-12-5-4-8-16-11-12)10-15(19)17-13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H,17,19)
InChIKeyQKCKAPFWCWTBHK-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.22
Rot. Bonds5

About 3-oxo-N-phenyl-4-pyridin-3-ylbutanamide

3-oxo-N-phenyl-4-pyridin-3-ylbutanamide (PubChem CID 131865555) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-oxo-N-phenyl-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name3-oxo-N-phenyl-4-pyridin-3-ylbutanamide
PubChem CID131865555
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-oxo-N-phenyl-4-pyridin-3-ylbutanamide
SMILESO=C(CC(=O)Nc1ccccc1)Cc1cccnc1
InChIInChI=1S/C15H14N2O2/c18-14(9-12-5-4-8-16-11-12)10-15(19)17-13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H,17,19)
InChIKeyQKCKAPFWCWTBHK-UHFFFAOYSA-N
XLogP2.22
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide
CID 175652905
CID 66868100
CID 66868100
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115339339
N-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide
CID 178011059
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 17297144
2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid
CID 107339387
N-cyclopropyl-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 131905029
2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
CID 43358510
1-bromo-3-pyridin-3-ylpropan-2-one;hydrobromide
CID 44818466
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-phenyl-4-pyridin-3-ylbutanamide?
The IUPAC name of 3-oxo-N-phenyl-4-pyridin-3-ylbutanamide (CID 131865555) is 3-oxo-N-phenyl-4-pyridin-3-ylbutanamide.
What is the SMILES notation for 3-oxo-N-phenyl-4-pyridin-3-ylbutanamide?
The canonical SMILES for 3-oxo-N-phenyl-4-pyridin-3-ylbutanamide is O=C(CC(=O)Nc1ccccc1)Cc1cccnc1.
What is the InChIKey of 3-oxo-N-phenyl-4-pyridin-3-ylbutanamide?
The InChIKey is QKCKAPFWCWTBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-14(9-12-5-4-8-16-11-12)10-15(19)17-13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H,17,19).
What are the key properties of 3-oxo-N-phenyl-4-pyridin-3-ylbutanamide?
3-oxo-N-phenyl-4-pyridin-3-ylbutanamide has a molecular weight of 254.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-phenyl-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 131865555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).