1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile

C14H12N2O2 — CID 82117382

IUPAC1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccccc1-n1ccc(C)c(C#N)c1=O
InChIInChI=1S/C14H12N2O2/c1-10-7-8-16(14(17)11(10)9-15)12-5-3-4-6-13(12)18-2/h3-8H,1-2H3
InChIKeyKJBINKWKBNGWIR-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.03
Rot. Bonds2

About 1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile

1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 82117382) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID82117382
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccccc1-n1ccc(C)c(C#N)c1=O
InChIInChI=1S/C14H12N2O2/c1-10-7-8-16(14(17)11(10)9-15)12-5-3-4-6-13(12)18-2/h3-8H,1-2H3
InChIKeyKJBINKWKBNGWIR-UHFFFAOYSA-N
XLogP2.03
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 82120124
1-(3-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117384
4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile
CID 134852331
1-(2,4-dimethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117088
2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetonitrile
CID 7286816
3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 172663458
1-(2-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-2-oxopyridine-3-carboxamide
CID 172658075
1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117100
methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate
CID 172656047
1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82124750
N-[2-(2-hydroxyethyl)phenyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172672235
1-(2-methoxyphenyl)-5-methylpyridin-2-one
CID 11957010

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile (CID 82117382) is 1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile is COc1ccccc1-n1ccc(C)c(C#N)c1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is KJBINKWKBNGWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-10-7-8-16(14(17)11(10)9-15)12-5-3-4-6-13(12)18-2/h3-8H,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile?
1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 240.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82117382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).