4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile

C10H12N2O — CID 15421487

IUPAC4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile
SMILESCC1=CC(C(C)C)=NC(=O)C1C#N
InChIInChI=1S/C10H12N2O/c1-6(2)9-4-7(3)8(5-11)10(13)12-9/h4,6,8H,1-3H3
InChIKeySWHIUQLUHQLPPT-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.71
Rot. Bonds1

About 4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile

4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile (PubChem CID 15421487) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile
PubChem CID15421487
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile
SMILESCC1=CC(C(C)C)=NC(=O)C1C#N
InChIInChI=1S/C10H12N2O/c1-6(2)9-4-7(3)8(5-11)10(13)12-9/h4,6,8H,1-3H3
InChIKeySWHIUQLUHQLPPT-UHFFFAOYSA-N
XLogP1.71
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-Dimethyl-2-oxo-2,3-dihydropyridine-3-carbonitrile
CID 15421486
6-methyl-2-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonitrile
CID 77519964
6-cyclopropyl-2-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonitrile
CID 77519980
4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carbonitrile
CID 77520118
6-(difluoromethyl)-4-methyl-2-oxo-3H-pyridine-3-carbonitrile
CID 77621022
3-ethyl-6-methyl-3H-pyridin-2-one
CID 76844676
4-Methyl-2-oxo-3,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
CID 129910831
(3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
CID 7156905
(3S)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
CID 7156906
6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile
CID 13240379
2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile
CID 15421492
5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
CID 71303629

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile (CID 15421487) is 4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile is CC1=CC(C(C)C)=NC(=O)C1C#N.
What is the InChIKey of 4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile?
The InChIKey is SWHIUQLUHQLPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6(2)9-4-7(3)8(5-11)10(13)12-9/h4,6,8H,1-3H3.
What are the key properties of 4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile?
4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 15421487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).