2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile

C18H20N2O — CID 82519871

IUPAC2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
SMILESCCCn1c(-c2cc(C)ccc2C)ccc(CC#N)c1=O
InChIInChI=1S/C18H20N2O/c1-4-11-20-17(8-7-15(9-10-19)18(20)21)16-12-13(2)5-6-14(16)3/h5-8,12H,4,9,11H2,1-3H3
InChIKeyUFXQESNQGORMNX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.61
Rot. Bonds4

About 2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile

2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile (PubChem CID 82519871) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
PubChem CID82519871
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
SMILESCCCn1c(-c2cc(C)ccc2C)ccc(CC#N)c1=O
InChIInChI=1S/C18H20N2O/c1-4-11-20-17(8-7-15(9-10-19)18(20)21)16-12-13(2)5-6-14(16)3/h5-8,12H,4,9,11H2,1-3H3
InChIKeyUFXQESNQGORMNX-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one
CID 82519877
2-[6-(3,4-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82520075
2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82520309
1-butyl-3-(chloromethyl)-6-(2,5-dimethylphenyl)pyridin-2-one
CID 82519834
1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82519838
2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile
CID 82520751
6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one
CID 82519868
2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82519984
1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82520240
6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519825
3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one
CID 82520275
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one
CID 82520208

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile (CID 82519871) is 2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile is CCCn1c(-c2cc(C)ccc2C)ccc(CC#N)c1=O.
What is the InChIKey of 2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile?
The InChIKey is UFXQESNQGORMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-4-11-20-17(8-7-15(9-10-19)18(20)21)16-12-13(2)5-6-14(16)3/h5-8,12H,4,9,11H2,1-3H3.
What are the key properties of 2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile?
2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile has a molecular weight of 280.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile is sourced from PubChem (CID 82519871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).