2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile

C16H16N2O2 — CID 82517950

IUPAC2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile
SMILESCCOc1ccc(-c2ccc(CC#N)c(=O)n2C)cc1
InChIInChI=1S/C16H16N2O2/c1-3-20-14-7-4-12(5-8-14)15-9-6-13(10-11-17)16(19)18(15)2/h4-9H,3,10H2,1-2H3
InChIKeyRELAANZAJHHAGP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.52
Rot. Bonds4

About 2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile

2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile (PubChem CID 82517950) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile
PubChem CID82517950
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile
SMILESCCOc1ccc(-c2ccc(CC#N)c(=O)n2C)cc1
InChIInChI=1S/C16H16N2O2/c1-3-20-14-7-4-12(5-8-14)15-9-6-13(10-11-17)16(19)18(15)2/h4-9H,3,10H2,1-2H3
InChIKeyRELAANZAJHHAGP-UHFFFAOYSA-N
XLogP2.52
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one
CID 82517951
2-[1-cyclopropyl-6-(4-ethoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82517897
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 82517956
3-(2-aminopropan-2-yl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one
CID 82517946
2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile
CID 39097031
3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82189512
1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile
CID 82517751
2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile
CID 82520751
6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099318
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930
2-(4-ethoxy-2-fluorophenyl)acetonitrile
CID 84767796

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile (CID 82517950) is 2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile is CCOc1ccc(-c2ccc(CC#N)c(=O)n2C)cc1.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile?
The InChIKey is RELAANZAJHHAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-3-20-14-7-4-12(5-8-14)15-9-6-13(10-11-17)16(19)18(15)2/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile?
2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile is sourced from PubChem (CID 82517950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).