N-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide

C11H12N4O2 — CID 63938315

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H12N4O2/c1-15(7-9-12-4-5-13-9)11(17)8-2-3-10(16)14-6-8/h2-6H,7H2,1H3,(H,12,13)(H,14,16)
InChIKeyVQQZTKUCBVOWEL-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.37
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 63938315) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID63938315
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H12N4O2/c1-15(7-9-12-4-5-13-9)11(17)8-2-3-10(16)14-6-8/h2-6H,7H2,1H3,(H,12,13)(H,14,16)
InChIKeyVQQZTKUCBVOWEL-UHFFFAOYSA-N
XLogP0.37
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-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 N-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 63938315) is N-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide is CN(Cc1ncc[nH]1)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VQQZTKUCBVOWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15(7-9-12-4-5-13-9)11(17)8-2-3-10(16)14-6-8/h2-6H,7H2,1H3,(H,12,13)(H,14,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 63938315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).