4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-carbonitrile

C12H12N4 — CID 3838524

IUPAC4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(-n2ccnc2C)n1
InChIInChI=1S/C12H12N4/c1-8-6-9(2)15-12(11(8)7-13)16-5-4-14-10(16)3/h4-6H,1-3H3
InChIKeyUVQITZCNBUIPOG-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.06
Rot. Bonds1

About 4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-carbonitrile

4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-carbonitrile (PubChem CID 3838524) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-carbonitrile
PubChem CID3838524
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(-n2ccnc2C)n1
InChIInChI=1S/C12H12N4/c1-8-6-9(2)15-12(11(8)7-13)16-5-4-14-10(16)3/h4-6H,1-3H3
InChIKeyUVQITZCNBUIPOG-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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-carbonitrile (CID 3838524) is 4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(-n2ccnc2C)n1.
What is the InChIKey of 4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-carbonitrile?
The InChIKey is UVQITZCNBUIPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-8-6-9(2)15-12(11(8)7-13)16-5-4-14-10(16)3/h4-6H,1-3H3.
What are the key properties of 4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-carbonitrile?
4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-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 4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 3838524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).