3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile

C11H10N4O — CID 80581912

IUPAC3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile
SMILESCn1ccn(Cc2cccnc2C#N)c1=O
InChIInChI=1S/C11H10N4O/c1-14-5-6-15(11(14)16)8-9-3-2-4-13-10(9)7-12/h2-6H,8H2,1H3
InChIKeyWOFQCCNWDQNOHD-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.50
Rot. Bonds2

About 3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile

3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 80581912) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID80581912
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile
SMILESCn1ccn(Cc2cccnc2C#N)c1=O
InChIInChI=1S/C11H10N4O/c1-14-5-6-15(11(14)16)8-9-3-2-4-13-10(9)7-12/h2-6H,8H2,1H3
InChIKeyWOFQCCNWDQNOHD-UHFFFAOYSA-N
XLogP0.50
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3-methyl-2-oxoimidazol-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 3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile (CID 80581912) is 3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile is Cn1ccn(Cc2cccnc2C#N)c1=O.
What is the InChIKey of 3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is WOFQCCNWDQNOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-14-5-6-15(11(14)16)8-9-3-2-4-13-10(9)7-12/h2-6H,8H2,1H3.
What are the key properties of 3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile?
3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 214.23 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 80581912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).