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

C19H22N2O2 — CID 82519984

IUPAC2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile
SMILESCOCCCn1c(-c2ccc(C)c(C)c2)ccc(CC#N)c1=O
InChIInChI=1S/C19H22N2O2/c1-14-5-6-17(13-15(14)2)18-8-7-16(9-10-20)19(22)21(18)11-4-12-23-3/h5-8,13H,4,9,11-12H2,1-3H3
InChIKeyLZRJINKRLLDCDF-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.23
Rot. Bonds6

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

2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile (PubChem CID 82519984) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile
PubChem CID82519984
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile
SMILESCOCCCn1c(-c2ccc(C)c(C)c2)ccc(CC#N)c1=O
InChIInChI=1S/C19H22N2O2/c1-14-5-6-17(13-15(14)2)18-8-7-16(9-10-20)19(22)21(18)11-4-12-23-3/h5-8,13H,4,9,11-12H2,1-3H3
InChIKeyLZRJINKRLLDCDF-UHFFFAOYSA-N
XLogP3.23
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[6-(3,4-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82520075
2-[1-(3-methoxypropyl)-2-oxo-6-propan-2-yl-3-pyridinyl]acetonitrile
CID 82524044
2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile
CID 82520751
2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile
CID 82517316
1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82146491
6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82519998
2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82519871
2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517166
6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 82519215
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one
CID 82520140
2-[1-(2-methoxyethyl)-2-oxo-6-propan-2-yl-3-pyridinyl]acetonitrile
CID 82524085
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099092

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile (CID 82519984) is 2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile is COCCCn1c(-c2ccc(C)c(C)c2)ccc(CC#N)c1=O.
What is the InChIKey of 2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile?
The InChIKey is LZRJINKRLLDCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-5-6-17(13-15(14)2)18-8-7-16(9-10-20)19(22)21(18)11-4-12-23-3/h5-8,13H,4,9,11-12H2,1-3H3.
What are the key properties of 2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile?
2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile has a molecular weight of 310.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile is sourced from PubChem (CID 82519984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).