3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine

C13H16N4 — CID 114721206

IUPAC3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine
SMILESCc1ccc(-n2cncc2C2CNC2)c(C)n1
InChIInChI=1S/C13H16N4/c1-9-3-4-12(10(2)16-9)17-8-15-7-13(17)11-5-14-6-11/h3-4,7-8,11,14H,5-6H2,1-2H3
InChIKeyWFMDJKXRJFZGJO-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.57
Rot. Bonds2

About 3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine

3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine (PubChem CID 114721206) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine.

Molecular Properties

Compound Name3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine
PubChem CID114721206
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine
SMILESCc1ccc(-n2cncc2C2CNC2)c(C)n1
InChIInChI=1S/C13H16N4/c1-9-3-4-12(10(2)16-9)17-8-15-7-13(17)11-5-14-6-11/h3-4,7-8,11,14H,5-6H2,1-2H3
InChIKeyWFMDJKXRJFZGJO-UHFFFAOYSA-N
XLogP1.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine 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

5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole
CID 103587997
3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine
CID 107587235
5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole
CID 114716072
1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716753
5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole
CID 114716743
5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole
CID 114720207
5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole
CID 114716199
1-(4-methoxy-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719980
3-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114721205
1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716903
6-[5-(azetidin-3-yl)imidazol-1-yl]quinoline
CID 114719931
4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703160

Frequently Asked Questions

What is the IUPAC name of 3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine?
The IUPAC name of 3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine (CID 114721206) is 3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine.
What is the SMILES notation for 3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine?
The canonical SMILES for 3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine is Cc1ccc(-n2cncc2C2CNC2)c(C)n1.
What is the InChIKey of 3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine?
The InChIKey is WFMDJKXRJFZGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-3-4-12(10(2)16-9)17-8-15-7-13(17)11-5-14-6-11/h3-4,7-8,11,14H,5-6H2,1-2H3.
What are the key properties of 3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine?
3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine has a molecular weight of 228.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine is sourced from PubChem (CID 114721206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).