4-methyl-6-[4-(2-methylpropyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile

C17H18N2O — CID 4298462

IUPAC4-methyl-6-[4-(2-methylpropyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(CC(C)C)cc2)[nH]c(=O)c1C#N
InChIInChI=1S/C17H18N2O/c1-11(2)8-13-4-6-14(7-5-13)16-9-12(3)15(10-18)17(20)19-16/h4-7,9,11H,8H2,1-3H3,(H,19,20)
InChIKeyRTVSKNKXIRIDDC-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.42
Rot. Bonds3

About 4-methyl-6-[4-(2-methylpropyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile

4-methyl-6-[4-(2-methylpropyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 4298462) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-methyl-6-[4-(2-methylpropyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-6-[4-(2-methylpropyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID4298462
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-methyl-6-[4-(2-methylpropyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(CC(C)C)cc2)[nH]c(=O)c1C#N
InChIInChI=1S/C17H18N2O/c1-11(2)8-13-4-6-14(7-5-13)16-9-12(3)15(10-18)17(20)19-16/h4-7,9,11H,8H2,1-3H3,(H,19,20)
InChIKeyRTVSKNKXIRIDDC-UHFFFAOYSA-N
XLogP3.42
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-(2-methylpropyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-6-[4-(2-methylpropyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 4298462) is 4-methyl-6-[4-(2-methylpropyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-6-[4-(2-methylpropyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-6-[4-(2-methylpropyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(CC(C)C)cc2)[nH]c(=O)c1C#N.
What is the InChIKey of 4-methyl-6-[4-(2-methylpropyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is RTVSKNKXIRIDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11(2)8-13-4-6-14(7-5-13)16-9-12(3)15(10-18)17(20)19-16/h4-7,9,11H,8H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-6-[4-(2-methylpropyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
4-methyl-6-[4-(2-methylpropyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-(2-methylpropyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 4298462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).