1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile

C16H16N2O2 — CID 82517340

IUPAC1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCCn1c(-c2ccc(OC)c(C)c2)ccc(C#N)c1=O
InChIInChI=1S/C16H16N2O2/c1-4-18-14(7-5-13(10-17)16(18)19)12-6-8-15(20-3)11(2)9-12/h5-9H,4H2,1-3H3
InChIKeyGJLJQCCBSVLKJR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.72
Rot. Bonds3

About 1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile

1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82517340) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID82517340
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCCn1c(-c2ccc(OC)c(C)c2)ccc(C#N)c1=O
InChIInChI=1S/C16H16N2O2/c1-4-18-14(7-5-13(10-17)16(18)19)12-6-8-15(20-3)11(2)9-12/h5-9H,4H2,1-3H3
InChIKeyGJLJQCCBSVLKJR-UHFFFAOYSA-N
XLogP2.72
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517327
6-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carbonitrile
CID 82099327
1-(2-aminobutyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82146896
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099092
6-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 82099080
1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82146491
1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82099097
2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517166
1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile
CID 82518218
1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile
CID 82099228
3-amino-6-(3,4-dimethoxyphenyl)-1-ethylpyridin-2-one
CID 82467154
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile (CID 82517340) is 1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile is CCn1c(-c2ccc(OC)c(C)c2)ccc(C#N)c1=O.
What is the InChIKey of 1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is GJLJQCCBSVLKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-4-18-14(7-5-13(10-17)16(18)19)12-6-8-15(20-3)11(2)9-12/h5-9H,4H2,1-3H3.
What are the key properties of 1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile?
1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82517340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).