2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile

C17H18N2O — CID 82520309

IUPAC2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
SMILESCCn1c(-c2ccc(C)cc2C)ccc(CC#N)c1=O
InChIInChI=1S/C17H18N2O/c1-4-19-16(8-6-14(9-10-18)17(19)20)15-7-5-12(2)11-13(15)3/h5-8,11H,4,9H2,1-3H3
InChIKeyPDHRVULXTPKLMK-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.22
Rot. Bonds3

About 2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile

2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile (PubChem CID 82520309) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
PubChem CID82520309
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
SMILESCCn1c(-c2ccc(C)cc2C)ccc(CC#N)c1=O
InChIInChI=1S/C17H18N2O/c1-4-19-16(8-6-14(9-10-18)17(19)20)15-7-5-12(2)11-13(15)3/h5-8,11H,4,9H2,1-3H3
InChIKeyPDHRVULXTPKLMK-UHFFFAOYSA-N
XLogP3.22
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82520319
2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82519871
2-[6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
CID 82444824
2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82519123
2-[6-(2,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 82520358
1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82520240
2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile
CID 82520751
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82518561
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one
CID 82520208
2-[6-(3,4-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82520075
2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile
CID 159886636
2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517166

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile (CID 82520309) is 2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile is CCn1c(-c2ccc(C)cc2C)ccc(CC#N)c1=O.
What is the InChIKey of 2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile?
The InChIKey is PDHRVULXTPKLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-4-19-16(8-6-14(9-10-18)17(19)20)15-7-5-12(2)11-13(15)3/h5-8,11H,4,9H2,1-3H3.
What are the key properties of 2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile?
2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile is sourced from PubChem (CID 82520309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).