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

C20H16N2O2 — CID 56598065

IUPAC1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccn(Cc3ccccc3)c(=O)c2C#N)cc1
InChIInChI=1S/C20H16N2O2/c1-24-17-9-7-16(8-10-17)18-11-12-22(20(23)19(18)13-21)14-15-5-3-2-4-6-15/h2-12H,14H2,1H3
InChIKeyREZYHYCFOKTEDA-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.44
Rot. Bonds4

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

1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 56598065) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID56598065
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccn(Cc3ccccc3)c(=O)c2C#N)cc1
InChIInChI=1S/C20H16N2O2/c1-24-17-9-7-16(8-10-17)18-11-12-22(20(23)19(18)13-21)14-15-5-3-2-4-6-15/h2-12H,14H2,1H3
InChIKeyREZYHYCFOKTEDA-UHFFFAOYSA-N
XLogP3.44
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 70482189
4-amino-1-benzyl-2-oxopyridine-3-carbonitrile
CID 794120
1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82120079
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-methylphenyl)-2-oxopyridine-3-carboxylate
CID 57399106
1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116765
1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile
CID 22050432
2-amino-6-(4-methoxyphenyl)benzonitrile
CID 146018328
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 71921771
3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 141379797
1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile
CID 166437920

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile (CID 56598065) is 1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile is COc1ccc(-c2ccn(Cc3ccccc3)c(=O)c2C#N)cc1.
What is the InChIKey of 1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is REZYHYCFOKTEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-24-17-9-7-16(8-10-17)18-11-12-22(20(23)19(18)13-21)14-15-5-3-2-4-6-15/h2-12H,14H2,1H3.
What are the key properties of 1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 56598065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).