1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile

C17H18N2O2 — CID 82517751

IUPAC1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile
SMILESCC(C)COc1ccc(-c2ccc(C#N)c(=O)n2C)cc1
InChIInChI=1S/C17H18N2O2/c1-12(2)11-21-15-7-4-13(5-8-15)16-9-6-14(10-18)17(20)19(16)3/h4-9,12H,11H2,1-3H3
InChIKeyBTHRMDFTKAKQGI-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.96
Rot. Bonds4

About 1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile

1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile (PubChem CID 82517751) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile
PubChem CID82517751
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile
SMILESCC(C)COc1ccc(-c2ccc(C#N)c(=O)n2C)cc1
InChIInChI=1S/C17H18N2O2/c1-12(2)11-21-15-7-4-13(5-8-15)16-9-6-14(10-18)17(20)19(16)3/h4-9,12H,11H2,1-3H3
InChIKeyBTHRMDFTKAKQGI-UHFFFAOYSA-N
XLogP2.96
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82189512
6-[4-(2-methylpropoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 82517764
3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82189716
1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
CID 82517769
2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile
CID 82517833
6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099318
6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099063
2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517950
2-methyl-4-(2-methylpropoxy)benzonitrile
CID 80502714
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde
CID 82517740
6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099160

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile (CID 82517751) is 1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile is CC(C)COc1ccc(-c2ccc(C#N)c(=O)n2C)cc1.
What is the InChIKey of 1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is BTHRMDFTKAKQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12(2)11-21-15-7-4-13(5-8-15)16-9-6-14(10-18)17(20)19(16)3/h4-9,12H,11H2,1-3H3.
What are the key properties of 1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile?
1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 282.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82517751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).