4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile

C12H12N4 — CID 63881824

IUPAC4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile
SMILESCCc1nccn1Cc1ccnc(C#N)c1
InChIInChI=1S/C12H12N4/c1-2-12-15-5-6-16(12)9-10-3-4-14-11(7-10)8-13/h3-7H,2,9H2,1H3
InChIKeyGNRVEBYCFWQJCY-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.76
Rot. Bonds3

About 4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile

4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 63881824) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID63881824
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile
SMILESCCc1nccn1Cc1ccnc(C#N)c1
InChIInChI=1S/C12H12N4/c1-2-12-15-5-6-16(12)9-10-3-4-14-11(7-10)8-13/h3-7H,2,9H2,1H3
InChIKeyGNRVEBYCFWQJCY-UHFFFAOYSA-N
XLogP1.76
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile (CID 63881824) is 4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile is CCc1nccn1Cc1ccnc(C#N)c1.
What is the InChIKey of 4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is GNRVEBYCFWQJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-12-15-5-6-16(12)9-10-3-4-14-11(7-10)8-13/h3-7H,2,9H2,1H3.
What are the key properties of 4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile?
4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 212.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63881824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).