6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile

C16H15ClN2O — CID 82099160

IUPAC6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
SMILESCC(C)Cn1c(-c2ccc(Cl)cc2)ccc(C#N)c1=O
InChIInChI=1S/C16H15ClN2O/c1-11(2)10-19-15(8-5-13(9-18)16(19)20)12-3-6-14(17)7-4-12/h3-8,11H,10H2,1-2H3
InChIKeyPYMIIDJZFVMKSF-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.70
Rot. Bonds3

About 6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile

6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82099160) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
PubChem CID82099160
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
SMILESCC(C)Cn1c(-c2ccc(Cl)cc2)ccc(C#N)c1=O
InChIInChI=1S/C16H15ClN2O/c1-11(2)10-19-15(8-5-13(9-18)16(19)20)12-3-6-14(17)7-4-12/h3-8,11H,10H2,1-2H3
InChIKeyPYMIIDJZFVMKSF-UHFFFAOYSA-N
XLogP3.70
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099063
6-(4-chlorophenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099168
6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 82519215
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519259
1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile
CID 82516710
2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide
CID 82099124
6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile
CID 82147223
7-(4-chlorophenyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 2456140
1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099441
6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
1-(2-aminobutyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82146896

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile (CID 82099160) is 6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile is CC(C)Cn1c(-c2ccc(Cl)cc2)ccc(C#N)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is PYMIIDJZFVMKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-11(2)10-19-15(8-5-13(9-18)16(19)20)12-3-6-14(17)7-4-12/h3-8,11H,10H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 286.76 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82099160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).