1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile

C14H12N2O2 — CID 82420996

IUPAC1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile
SMILESCOc1cccc(-n2cc(C#N)c(=O)cc2C)c1
InChIInChI=1S/C14H12N2O2/c1-10-6-14(17)11(8-15)9-16(10)12-4-3-5-13(7-12)18-2/h3-7,9H,1-2H3
InChIKeyTYPRVKSFWHEUFU-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.03
Rot. Bonds2

About 1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile

1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile (PubChem CID 82420996) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile
PubChem CID82420996
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile
SMILESCOc1cccc(-n2cc(C#N)c(=O)cc2C)c1
InChIInChI=1S/C14H12N2O2/c1-10-6-14(17)11(8-15)9-16(10)12-4-3-5-13(7-12)18-2/h3-7,9H,1-2H3
InChIKeyTYPRVKSFWHEUFU-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

5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one
CID 130407768
5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one
CID 82420995
1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonitrile
CID 20888478
1-(3-chloro-4-fluorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile
CID 82420458
1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82421024
1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile
CID 82419058
1-(3-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117384
3-cyano-1-(3-methoxyphenyl)pyrrole-2-carboxylic acid
CID 42748058
6-methyl-4-oxo-1-(2,3,4-trifluorophenyl)pyridine-3-carbonitrile
CID 82420859
N-(2-cyanophenyl)-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 46273520
methyl 3-amino-4-cyano-1-[4-(3-methoxyphenoxy)phenyl]pyrrole-2-carboxylate
CID 168546300
ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
CID 143937149

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile (CID 82420996) is 1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile is COc1cccc(-n2cc(C#N)c(=O)cc2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile?
The InChIKey is TYPRVKSFWHEUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-10-6-14(17)11(8-15)9-16(10)12-4-3-5-13(7-12)18-2/h3-7,9H,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile?
1-(3-methoxyphenyl)-6-methyl-4-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-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82420996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).