4-oxo-2-phenyl-2-pyridin-3-ylbutanamide

C15H14N2O2 — CID 174457526

IUPAC4-oxo-2-phenyl-2-pyridin-3-ylbutanamide
SMILESNC(=O)C(CC=O)(c1ccccc1)c1cccnc1
InChIInChI=1S/C15H14N2O2/c16-14(19)15(8-10-18,12-5-2-1-3-6-12)13-7-4-9-17-11-13/h1-7,9-11H,8H2,(H2,16,19)
InChIKeyJJHHWRVBIXKOOD-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.44
Rot. Bonds5

About 4-oxo-2-phenyl-2-pyridin-3-ylbutanamide

4-oxo-2-phenyl-2-pyridin-3-ylbutanamide (PubChem CID 174457526) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-oxo-2-phenyl-2-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-oxo-2-phenyl-2-pyridin-3-ylbutanamide
PubChem CID174457526
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-oxo-2-phenyl-2-pyridin-3-ylbutanamide
SMILESNC(=O)C(CC=O)(c1ccccc1)c1cccnc1
InChIInChI=1S/C15H14N2O2/c16-14(19)15(8-10-18,12-5-2-1-3-6-12)13-7-4-9-17-11-13/h1-7,9-11H,8H2,(H2,16,19)
InChIKeyJJHHWRVBIXKOOD-UHFFFAOYSA-N
XLogP1.44
TPSA73.05 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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dipyridin-3-ylhexanediamide
CID 174727979
2-benzyl-6-oxo-2-pyridin-3-ylhexanoic acid
CID 175912120
2-(benzylamino)-2-pyridin-3-ylpropanamide
CID 54891500
1-phenyl-1-pyridin-3-ylbut-3-en-1-ol
CID 13193271
2-methyl-2,3-dipyridin-3-ylpropanamide
CID 126521442
(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 71485674
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
2-ethenyl-2-phenylbut-3-enamide
CID 121008159
3-(methylamino)-3-pyridin-3-ylbutanamide
CID 65236236
2-chloro-4-oxo-2-phenylbutanoic acid
CID 151405289
butanedioic acid;pyridine-3-carboxamide
CID 159465776
4-(hydroxy-phenyl-pyridin-3-ylmethyl)phenol
CID 91752041

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-phenyl-2-pyridin-3-ylbutanamide?
The IUPAC name of 4-oxo-2-phenyl-2-pyridin-3-ylbutanamide (CID 174457526) is 4-oxo-2-phenyl-2-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-oxo-2-phenyl-2-pyridin-3-ylbutanamide?
The canonical SMILES for 4-oxo-2-phenyl-2-pyridin-3-ylbutanamide is NC(=O)C(CC=O)(c1ccccc1)c1cccnc1.
What is the InChIKey of 4-oxo-2-phenyl-2-pyridin-3-ylbutanamide?
The InChIKey is JJHHWRVBIXKOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-14(19)15(8-10-18,12-5-2-1-3-6-12)13-7-4-9-17-11-13/h1-7,9-11H,8H2,(H2,16,19).
What are the key properties of 4-oxo-2-phenyl-2-pyridin-3-ylbutanamide?
4-oxo-2-phenyl-2-pyridin-3-ylbutanamide has a molecular weight of 254.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-phenyl-2-pyridin-3-ylbutanamide is sourced from PubChem (CID 174457526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).