4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile

C13H14N4 — CID 81060395

IUPAC4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(-n2cnc(C)c2C)c(C#N)c(C)n1
InChIInChI=1S/C13H14N4/c1-8-5-13(12(6-14)10(3)16-8)17-7-15-9(2)11(17)4/h5,7H,1-4H3
InChIKeyCDZZHCIXIPEZHT-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.37
Rot. Bonds1

About 4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile

4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060395) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060395
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(-n2cnc(C)c2C)c(C#N)c(C)n1
InChIInChI=1S/C13H14N4/c1-8-5-13(12(6-14)10(3)16-8)17-7-15-9(2)11(17)4/h5,7H,1-4H3
InChIKeyCDZZHCIXIPEZHT-UHFFFAOYSA-N
XLogP2.37
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile (CID 81060395) is 4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(-n2cnc(C)c2C)c(C#N)c(C)n1.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is CDZZHCIXIPEZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-8-5-13(12(6-14)10(3)16-8)17-7-15-9(2)11(17)4/h5,7H,1-4H3.
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).