4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile

C15H14N2O — CID 82117080

IUPAC4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C#N
InChIInChI=1S/C15H14N2O/c1-11-8-9-17(15(18)14(11)10-16)12(2)13-6-4-3-5-7-13/h3-9,12H,1-2H3
InChIKeyBYDWBPNQAYFLFJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.64
Rot. Bonds2

About 4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile

4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile (PubChem CID 82117080) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
PubChem CID82117080
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C#N
InChIInChI=1S/C15H14N2O/c1-11-8-9-17(15(18)14(11)10-16)12(2)13-6-4-3-5-7-13/h3-9,12H,1-2H3
InChIKeyBYDWBPNQAYFLFJ-UHFFFAOYSA-N
XLogP2.64
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[(1S)-1-phenylethyl]isoquinolin-1-one
CID 102208891
N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172665102
6-bromo-2-(1-phenylethyl)isoquinolin-1-one;carbon dioxide
CID 167693011
2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide
CID 172905946
1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117382
4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 94282088
4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 82111413
4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one
CID 172662740
1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one
CID 172655296
6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione
CID 12914074
4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile
CID 126997451
4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 82111825

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile (CID 82117080) is 4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile is Cc1ccn(C(C)c2ccccc2)c(=O)c1C#N.
What is the InChIKey of 4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile?
The InChIKey is BYDWBPNQAYFLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-8-9-17(15(18)14(11)10-16)12(2)13-6-4-3-5-7-13/h3-9,12H,1-2H3.
What are the key properties of 4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile?
4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82117080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).