1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile

C21H18N2O2 — CID 70482189

IUPAC1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(-c2cn(Cc3ccccc3)c(=O)c(C#N)c2C)cc1
InChIInChI=1S/C21H18N2O2/c1-15-19(12-22)21(24)23(13-16-6-4-3-5-7-16)14-20(15)17-8-10-18(25-2)11-9-17/h3-11,14H,13H2,1-2H3
InChIKeyGPYUPNKJMJIDEN-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.75
Rot. Bonds4

About 1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile

1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 70482189) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID70482189
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(-c2cn(Cc3ccccc3)c(=O)c(C#N)c2C)cc1
InChIInChI=1S/C21H18N2O2/c1-15-19(12-22)21(24)23(13-16-6-4-3-5-7-16)14-20(15)17-8-10-18(25-2)11-9-17/h3-11,14H,13H2,1-2H3
InChIKeyGPYUPNKJMJIDEN-UHFFFAOYSA-N
XLogP3.75
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 56598065
1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile
CID 166437920
1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116765
4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 82119679
2-amino-1-benzyl-5-(4-methoxyphenyl)-4-phenylpyrrole-3-carbonitrile
CID 59536507
2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one
CID 56927385
methyl 1-benzyl-4-(4-cyanophenyl)-2-methylpyrrole-3-carboxylate
CID 45139279
5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 53245544
2-benzylsulfanyl-4-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135530391
1-benzyl-3-(3,5-dimethoxyphenyl)indole
CID 66552988
1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82120079
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile (CID 70482189) is 1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile is COc1ccc(-c2cn(Cc3ccccc3)c(=O)c(C#N)c2C)cc1.
What is the InChIKey of 1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is GPYUPNKJMJIDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-15-19(12-22)21(24)23(13-16-6-4-3-5-7-16)14-20(15)17-8-10-18(25-2)11-9-17/h3-11,14H,13H2,1-2H3.
What are the key properties of 1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile?
1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 330.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 70482189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).