5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide

C13H13N5O — CID 63718606

IUPAC5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H13N5O/c1-17-6-5-15-12(17)9-18(2)13(19)11-4-3-10(7-14)8-16-11/h3-6,8H,9H2,1-2H3
InChIKeyBCVWRGUDRKUKSC-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.96
Rot. Bonds3

About 5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide

5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 63718606) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
PubChem CID63718606
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H13N5O/c1-17-6-5-15-12(17)9-18(2)13(19)11-4-3-10(7-14)8-16-11/h3-6,8H,9H2,1-2H3
InChIKeyBCVWRGUDRKUKSC-UHFFFAOYSA-N
XLogP0.96
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide 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 5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide (CID 63718606) is 5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide is CN(Cc1nccn1C)C(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is BCVWRGUDRKUKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-17-6-5-15-12(17)9-18(2)13(19)11-4-3-10(7-14)8-16-11/h3-6,8H,9H2,1-2H3.
What are the key properties of 5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide?
5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 63718606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).