2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile

C18H20N2O2 — CID 82517316

IUPAC2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile
SMILESCOc1ccc(-c2ccc(CC#N)c(=O)n2C(C)C)cc1C
InChIInChI=1S/C18H20N2O2/c1-12(2)20-16(7-5-14(9-10-19)18(20)21)15-6-8-17(22-4)13(3)11-15/h5-8,11-12H,9H2,1-4H3
InChIKeyLVJQJNSTSXQBKW-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.48
Rot. Bonds4

About 2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile

2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile (PubChem CID 82517316) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile
PubChem CID82517316
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile
SMILESCOc1ccc(-c2ccc(CC#N)c(=O)n2C(C)C)cc1C
InChIInChI=1S/C18H20N2O2/c1-12(2)20-16(7-5-14(9-10-19)18(20)21)15-6-8-17(22-4)13(3)11-15/h5-8,11-12H,9H2,1-4H3
InChIKeyLVJQJNSTSXQBKW-UHFFFAOYSA-N
XLogP3.48
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile with MolForge

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Related Compounds

1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517277
3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189342
2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517166
2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82519984
2-[6-(3,4-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82520075
1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82517340
2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile
CID 82044296
2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile
CID 82525085
2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride
CID 82517344
3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189293
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one
CID 82520022
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82520018

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile (CID 82517316) is 2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile is COc1ccc(-c2ccc(CC#N)c(=O)n2C(C)C)cc1C.
What is the InChIKey of 2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile?
The InChIKey is LVJQJNSTSXQBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12(2)20-16(7-5-14(9-10-19)18(20)21)15-6-8-17(22-4)13(3)11-15/h5-8,11-12H,9H2,1-4H3.
What are the key properties of 2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile?
2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile has a molecular weight of 296.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile is sourced from PubChem (CID 82517316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).