4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C16H16N2O2 — CID 168584806

IUPAC4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCOc1cc(-c2cc(C)[nH]c(=O)c2C#N)ccc1C
InChIInChI=1S/C16H16N2O2/c1-4-20-15-8-12(6-5-10(15)2)13-7-11(3)18-16(19)14(13)9-17/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyRKAHUFDWISZNEY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.93
Rot. Bonds3

About 4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168584806) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168584806
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCOc1cc(-c2cc(C)[nH]c(=O)c2C#N)ccc1C
InChIInChI=1S/C16H16N2O2/c1-4-20-15-8-12(6-5-10(15)2)13-7-11(3)18-16(19)14(13)9-17/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyRKAHUFDWISZNEY-UHFFFAOYSA-N
XLogP2.93
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82639427
4-(3-bromo-4,5-diethoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587101
4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586963
4-[4-ethoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586476
4-(3-butoxy-4-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585115
[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenyl] 2-chlorobenzoate
CID 168586600
4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586475
4-(3-chloro-4-propoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587004
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide
CID 168586168
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide
CID 168586161
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetic acid
CID 168587366
4-(3-chloro-4-pentoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585088

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168584806) is 4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is CCOc1cc(-c2cc(C)[nH]c(=O)c2C#N)ccc1C.
What is the InChIKey of 4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is RKAHUFDWISZNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-4-20-15-8-12(6-5-10(15)2)13-7-11(3)18-16(19)14(13)9-17/h5-8H,4H2,1-3H3,(H,18,19).
What are the key properties of 4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168584806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).