4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile

C17H18N2O2 — CID 23828687

IUPAC4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2c(C(C)C)c(C)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C17H18N2O2/c1-10(2)15-11(3)19-17(20)14(9-18)16(15)12-5-7-13(21-4)8-6-12/h5-8,10H,1-4H3,(H,19,20)
InChIKeyUZGLKLFDTFVNEL-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.35
Rot. Bonds3

About 4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile

4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 23828687) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile
PubChem CID23828687
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2c(C(C)C)c(C)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C17H18N2O2/c1-10(2)15-11(3)19-17(20)14(9-18)16(15)12-5-7-13(21-4)8-6-12/h5-8,10H,1-4H3,(H,19,20)
InChIKeyUZGLKLFDTFVNEL-UHFFFAOYSA-N
XLogP3.35
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82120081
4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one
CID 68573583
2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 71574198
4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 2825970
2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 14269650
6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 139755848
2-amino-4-[3-(4-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393882
4-(6-methoxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585110
7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
CID 86683080
4-(4-methoxyphenyl)-6-oxo-2-(4-propan-2-ylanilino)-1H-pyrimidine-5-carbonitrile
CID 135682176
2-amino-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393028
4-(4-methoxyphenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135483264

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile (CID 23828687) is 4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile is COc1ccc(-c2c(C(C)C)c(C)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is UZGLKLFDTFVNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10(2)15-11(3)19-17(20)14(9-18)16(15)12-5-7-13(21-4)8-6-12/h5-8,10H,1-4H3,(H,19,20).
What are the key properties of 4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile?
4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 282.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 23828687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).