2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile

C19H22N2O — CID 82520751

IUPAC2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile
SMILESCCCCCn1c(-c2ccc(C)cc2)ccc(CC#N)c1=O
InChIInChI=1S/C19H22N2O/c1-3-4-5-14-21-18(16-8-6-15(2)7-9-16)11-10-17(12-13-20)19(21)22/h6-11H,3-5,12,14H2,1-2H3
InChIKeyFYLZNICSQBPDRY-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.08
Rot. Bonds6

About 2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile

2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile (PubChem CID 82520751) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile
PubChem CID82520751
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile
SMILESCCCCCn1c(-c2ccc(C)cc2)ccc(CC#N)c1=O
InChIInChI=1S/C19H22N2O/c1-3-4-5-14-21-18(16-8-6-15(2)7-9-16)11-10-17(12-13-20)19(21)22/h6-11H,3-5,12,14H2,1-2H3
InChIKeyFYLZNICSQBPDRY-UHFFFAOYSA-N
XLogP4.08
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one
CID 82520754
2-[6-(3,4-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82520075
2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82519871
2-(1-butyl-2-oxo-6-thiophen-2-yl-3-pyridinyl)acetonitrile
CID 82516724
2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82519984
6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one
CID 82520519
3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one
CID 82521098
2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82520309
2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82519123
1-butyl-3-(chloromethyl)-6-(4-fluorophenyl)pyridin-2-one
CID 82519520
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one
CID 82520208
1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82099181

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile (CID 82520751) is 2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile is CCCCCn1c(-c2ccc(C)cc2)ccc(CC#N)c1=O.
What is the InChIKey of 2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile?
The InChIKey is FYLZNICSQBPDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-3-4-5-14-21-18(16-8-6-15(2)7-9-16)11-10-17(12-13-20)19(21)22/h6-11H,3-5,12,14H2,1-2H3.
What are the key properties of 2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile?
2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile has a molecular weight of 294.40 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile is sourced from PubChem (CID 82520751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).