1-ethyl-2-oxo-4-phenylpyridine-3-carbonitrile

C14H12N2O — CID 1487453

IUPAC1-ethyl-2-oxo-4-phenylpyridine-3-carbonitrile
SMILESCCn1ccc(-c2ccccc2)c(C#N)c1=O
InChIInChI=1S/C14H12N2O/c1-2-16-9-8-12(13(10-15)14(16)17)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChIKeyFUFKFSVXLFTGSP-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.41
Rot. Bonds2

About 1-ethyl-2-oxo-4-phenylpyridine-3-carbonitrile

1-ethyl-2-oxo-4-phenylpyridine-3-carbonitrile (PubChem CID 1487453) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-ethyl-2-oxo-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-oxo-4-phenylpyridine-3-carbonitrile
PubChem CID1487453
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1-ethyl-2-oxo-4-phenylpyridine-3-carbonitrile
SMILESCCn1ccc(-c2ccccc2)c(C#N)c1=O
InChIInChI=1S/C14H12N2O/c1-2-16-9-8-12(13(10-15)14(16)17)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChIKeyFUFKFSVXLFTGSP-UHFFFAOYSA-N
XLogP2.41
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)-
CID 111488
2-Hydroxy-5-phenyl-nicotinonitrile
CID 297061
4,6-Dimethyl-1-(2-methylbenzyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 5000326
Nsc167484
CID 296919
1-Benzyl-4-hexylpyridin-2-one
CID 121493777
2-[(2-Oxo-4-pentyl-1-pyridinyl)methyl]benzonitrile
CID 127054018
6-Amino-4-(4-fluorophenyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 2452227
1-(3-Methylbutyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
CID 59234239
1-(3-Methylbutyl)-2-oxo-4-(2-phenylethyl)pyridine-3-carbonitrile
CID 59391336
(2E,4E)-5-phenyl-2-(pyrrolidin-1-ylcarbonyl)penta-2,4-dienenitrile
CID 1502289
1-Methyl-2-oxo-5-phenyl-1,2-dihydro-3-pyridinecarbonitrile
CID 1479104
1-Ethyl-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CID 1488311

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-2-oxo-4-phenylpyridine-3-carbonitrile (CID 1487453) is 1-ethyl-2-oxo-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-2-oxo-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-2-oxo-4-phenylpyridine-3-carbonitrile is CCn1ccc(-c2ccccc2)c(C#N)c1=O.
What is the InChIKey of 1-ethyl-2-oxo-4-phenylpyridine-3-carbonitrile?
The InChIKey is FUFKFSVXLFTGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-16-9-8-12(13(10-15)14(16)17)11-6-4-3-5-7-11/h3-9H,2H2,1H3.
What are the key properties of 1-ethyl-2-oxo-4-phenylpyridine-3-carbonitrile?
1-ethyl-2-oxo-4-phenylpyridine-3-carbonitrile has a molecular weight of 224.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 1487453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).