1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile

C18H20N2O — CID 82519838

IUPAC1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCCCCn1c(-c2cc(C)ccc2C)ccc(C#N)c1=O
InChIInChI=1S/C18H20N2O/c1-4-5-10-20-17(9-8-15(12-19)18(20)21)16-11-13(2)6-7-14(16)3/h6-9,11H,4-5,10H2,1-3H3
InChIKeyCLFFCFTVQYYJCM-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.80
Rot. Bonds4

About 1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile

1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82519838) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID82519838
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCCCCn1c(-c2cc(C)ccc2C)ccc(C#N)c1=O
InChIInChI=1S/C18H20N2O/c1-4-5-10-20-17(9-8-15(12-19)18(20)21)16-11-13(2)6-7-14(16)3/h6-9,11H,4-5,10H2,1-3H3
InChIKeyCLFFCFTVQYYJCM-UHFFFAOYSA-N
XLogP3.80
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-(chloromethyl)-6-(2,5-dimethylphenyl)pyridin-2-one
CID 82519834
2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82519871
1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82518797
1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82099181
6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one
CID 82519877
1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82520240
1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82146491
1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
CID 82517769
6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one
CID 82519868
6-(2,5-dimethylphenyl)-3-oxo-2-propylpyridazine-4-carbonitrile
CID 82446704
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099092
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one
CID 82520208

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile (CID 82519838) is 1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile is CCCCn1c(-c2cc(C)ccc2C)ccc(C#N)c1=O.
What is the InChIKey of 1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is CLFFCFTVQYYJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-4-5-10-20-17(9-8-15(12-19)18(20)21)16-11-13(2)6-7-14(16)3/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile?
1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 280.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82519838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).