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

C16H16N2O2 — CID 82517764

IUPAC6-[4-(2-methylpropoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCC(C)COc1ccc(-c2ccc(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C16H16N2O2/c1-11(2)10-20-14-6-3-12(4-7-14)15-8-5-13(9-17)16(19)18-15/h3-8,11H,10H2,1-2H3,(H,18,19)
InChIKeyHHEKQOCWJYGNLM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.95
Rot. Bonds4

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

6-[4-(2-methylpropoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 82517764) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-[4-(2-methylpropoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(2-methylpropoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID82517764
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name6-[4-(2-methylpropoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCC(C)COc1ccc(-c2ccc(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C16H16N2O2/c1-11(2)10-20-14-6-3-12(4-7-14)15-8-5-13(9-17)16(19)18-15/h3-8,11H,10H2,1-2H3,(H,18,19)
InChIKeyHHEKQOCWJYGNLM-UHFFFAOYSA-N
XLogP2.95
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile
CID 82299236
1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile
CID 82517751
2-methyl-4-(2-methylpropoxy)benzonitrile
CID 80502714
ethyl 3-[4-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]-2-methylpropanoate
CID 70054322
6-(2-methylpropoxy)naphthalene-2-carbonitrile
CID 121256525
CID 90335721
CID 90335721
3-methoxy-5-(2-methylpropoxy)benzonitrile
CID 103566832
[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine
CID 95457106
5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one
CID 82446197
6-[4-(2-methylpropyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 63896816
4-methyl-2-(2-methylpropoxy)benzonitrile
CID 62302468
6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585141

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylpropoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(2-methylpropoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 82517764) is 6-[4-(2-methylpropoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(2-methylpropoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(2-methylpropoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile is CC(C)COc1ccc(-c2ccc(C#N)c(=O)[nH]2)cc1.
What is the InChIKey of 6-[4-(2-methylpropoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is HHEKQOCWJYGNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11(2)10-20-14-6-3-12(4-7-14)15-8-5-13(9-17)16(19)18-15/h3-8,11H,10H2,1-2H3,(H,18,19).
What are the key properties of 6-[4-(2-methylpropoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
6-[4-(2-methylpropoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylpropoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 82517764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).