5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile

C16H12N2O2 — CID 157476958

IUPAC5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(=O)CCC(=O)c2ccccc2)cn1
InChIInChI=1S/C16H12N2O2/c17-10-14-7-6-13(11-18-14)16(20)9-8-15(19)12-4-2-1-3-5-12/h1-7,11H,8-9H2
InChIKeyVYSIUKFLPGGWBW-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.80
Rot. Bonds5

About 5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile

5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile (PubChem CID 157476958) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile
PubChem CID157476958
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(=O)CCC(=O)c2ccccc2)cn1
InChIInChI=1S/C16H12N2O2/c17-10-14-7-6-13(11-18-14)16(20)9-8-15(19)12-4-2-1-3-5-12/h1-7,11H,8-9H2
InChIKeyVYSIUKFLPGGWBW-UHFFFAOYSA-N
XLogP2.80
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;2-amino-1-phenylethanone;azane;6-cyanopyridine-3-carboxylic acid;molecular fluorine;5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile;5-(5-phenyl-1H-imidazol-2-yl)pyridine-2-carbonitrile;[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]methanamine
CID 157476957
6-phenacylpyridine-2-carbonitrile
CID 19969618
CID 88763605
CID 88763605
(4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate
CID 176803320
5-(9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonyl)pyridine-2-carbonitrile
CID 171944128
4-oxo-4-phenylbutanoyl chloride
CID 10932389
4-oxo-4-phenylbutanethioic S-acid
CID 54460780
3-[(6-cyano-3-pyridinyl)amino]benzoic acid
CID 113320464
5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 59753639
1,15-diphenylpentadecane-1,15-dione
CID 159981687
6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide
CID 67567287
2-(6-cyano-3-pyridinyl)-3-phenylpropanamide
CID 154724655

Frequently Asked Questions

What is the IUPAC name of 5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile (CID 157476958) is 5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile is N#Cc1ccc(C(=O)CCC(=O)c2ccccc2)cn1.
What is the InChIKey of 5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile?
The InChIKey is VYSIUKFLPGGWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c17-10-14-7-6-13(11-18-14)16(20)9-8-15(19)12-4-2-1-3-5-12/h1-7,11H,8-9H2.
What are the key properties of 5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile?
5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile has a molecular weight of 264.28 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile is sourced from PubChem (CID 157476958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).