2-[4-[(2-ethyl-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile

C21H18N2O — CID 19012285

IUPAC2-[4-[(2-ethyl-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile
SMILESCCc1cccc(=O)n1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C21H18N2O/c1-2-19-7-5-9-21(24)23(19)15-16-10-12-17(13-11-16)20-8-4-3-6-18(20)14-22/h3-13H,2,15H2,1H3
InChIKeyZWBDFURQASIREB-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.00
Rot. Bonds4

About 2-[4-[(2-ethyl-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile

2-[4-[(2-ethyl-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile (PubChem CID 19012285) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[4-[(2-ethyl-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[(2-ethyl-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile
PubChem CID19012285
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name2-[4-[(2-ethyl-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile
SMILESCCc1cccc(=O)n1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C21H18N2O/c1-2-19-7-5-9-21(24)23(19)15-16-10-12-17(13-11-16)20-8-4-3-6-18(20)14-22/h3-13H,2,15H2,1H3
InChIKeyZWBDFURQASIREB-UHFFFAOYSA-N
XLogP4.00
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[6-butyl-3-(hydroxymethyl)-2-oxo-1-pyridinyl]methyl]phenyl]benzonitrile
CID 19012411
2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile
CID 19087819
2-[4-[(6-butyl-2-oxo-3-piperidin-1-yl-1-pyridinyl)methyl]phenyl]benzonitrile
CID 19012386
2-[4-[(5-bromo-2-butyl-6-ethyl-4-oxopyrimidin-1-yl)methyl]phenyl]benzonitrile
CID 90836826
2-[4-[(5-bromo-2-butyl-4-ethyl-6-oxopyrimidin-1-yl)methyl]phenyl]benzonitrile
CID 57460095
2-[4-[(2-ethyl-5,7-dioxo-[1,3]thiazolo[5,4-d][1,3]oxazin-4-yl)methyl]phenyl]benzonitrile
CID 59351582
4-[(2-butyl-6-oxo-1-pyridinyl)methyl]benzonitrile
CID 54543964
2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile
CID 71899736
N-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]methyl]butanamide
CID 19012299
6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide
CID 19012366
2-[4-[[3-[2-(4-methoxyphenyl)-2-oxoethyl]-2,4-dioxo-6-propylpyrimidin-1-yl]methyl]phenyl]benzonitrile
CID 59351583
2-[4-[(5-cyclopropyl-4-ethyl-6-oxo-2-propylpyrimidin-1-yl)methyl]phenyl]benzonitrile
CID 57460071

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethyl-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[(2-ethyl-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile (CID 19012285) is 2-[4-[(2-ethyl-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[(2-ethyl-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[(2-ethyl-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile is CCc1cccc(=O)n1Cc1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of 2-[4-[(2-ethyl-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile?
The InChIKey is ZWBDFURQASIREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-2-19-7-5-9-21(24)23(19)15-16-10-12-17(13-11-16)20-8-4-3-6-18(20)14-22/h3-13H,2,15H2,1H3.
What are the key properties of 2-[4-[(2-ethyl-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile?
2-[4-[(2-ethyl-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile has a molecular weight of 314.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethyl-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile is sourced from PubChem (CID 19012285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).