2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-carbonitrile

C12H12N4 — CID 114766737

IUPAC2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(-n2cnc(C)c2C)n1
InChIInChI=1S/C12H12N4/c1-8-4-11(6-13)5-12(15-8)16-7-14-9(2)10(16)3/h4-5,7H,1-3H3
InChIKeySSKWETBMMUTPRP-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.06
Rot. Bonds1

About 2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-carbonitrile

2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-carbonitrile (PubChem CID 114766737) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-carbonitrile
PubChem CID114766737
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(-n2cnc(C)c2C)n1
InChIInChI=1S/C12H12N4/c1-8-4-11(6-13)5-12(15-8)16-7-14-9(2)10(16)3/h4-5,7H,1-3H3
InChIKeySSKWETBMMUTPRP-UHFFFAOYSA-N
XLogP2.06
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-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-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81060395
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766561
6-(4,5-dimethylimidazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773488
2-methyl-6-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 114765932
2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114766208
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 104969574
2-(4,5-dimethylimidazol-1-yl)-5-methylbenzonitrile
CID 107928017
2-(4,5-dimethylimidazol-1-yl)pyridin-4-amine
CID 62352299
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile
CID 114768261
2-bromo-4-(4,5-dimethylimidazol-1-yl)benzonitrile
CID 107276857
2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile
CID 114766322
4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine
CID 115417263

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-carbonitrile (CID 114766737) is 2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(-n2cnc(C)c2C)n1.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-carbonitrile?
The InChIKey is SSKWETBMMUTPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-8-4-11(6-13)5-12(15-8)16-7-14-9(2)10(16)3/h4-5,7H,1-3H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-carbonitrile?
2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-carbonitrile has a molecular weight of 212.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).