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

C11H11BrN4O2 — CID 86794155

IUPAC5-bromo-N-(1H-imidazol-2-ylmethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCc2ncc[nH]2)cc1Br
InChIInChI=1S/C11H11BrN4O2/c1-6-8(12)4-7(11(18)16-6)10(17)15-5-9-13-2-3-14-9/h2-4H,5H2,1H3,(H,13,14)(H,15,17)(H,16,18)
InChIKeyDQNJBQNHAILNRY-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.10
Rot. Bonds3

About 5-bromo-N-(1H-imidazol-2-ylmethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

5-bromo-N-(1H-imidazol-2-ylmethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 86794155) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 5-bromo-N-(1H-imidazol-2-ylmethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1H-imidazol-2-ylmethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID86794155
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name5-bromo-N-(1H-imidazol-2-ylmethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCc2ncc[nH]2)cc1Br
InChIInChI=1S/C11H11BrN4O2/c1-6-8(12)4-7(11(18)16-6)10(17)15-5-9-13-2-3-14-9/h2-4H,5H2,1H3,(H,13,14)(H,15,17)(H,16,18)
InChIKeyDQNJBQNHAILNRY-UHFFFAOYSA-N
XLogP1.10
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(1H-imidazol-2-ylmethyl)-6-methyl-2-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 5-bromo-N-(1H-imidazol-2-ylmethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(1H-imidazol-2-ylmethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 86794155) is 5-bromo-N-(1H-imidazol-2-ylmethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1H-imidazol-2-ylmethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1H-imidazol-2-ylmethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(=O)NCc2ncc[nH]2)cc1Br.
What is the InChIKey of 5-bromo-N-(1H-imidazol-2-ylmethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DQNJBQNHAILNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c1-6-8(12)4-7(11(18)16-6)10(17)15-5-9-13-2-3-14-9/h2-4H,5H2,1H3,(H,13,14)(H,15,17)(H,16,18).
What are the key properties of 5-bromo-N-(1H-imidazol-2-ylmethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
5-bromo-N-(1H-imidazol-2-ylmethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 311.14 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-imidazol-2-ylmethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 86794155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).