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

C12H13BrN4O2 — CID 86817205

IUPAC5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCCn2ccnc2)cc1Br
InChIInChI=1S/C12H13BrN4O2/c1-8-10(13)6-9(12(19)16-8)11(18)15-3-5-17-4-2-14-7-17/h2,4,6-7H,3,5H2,1H3,(H,15,18)(H,16,19)
InChIKeyGABXSDIEMCENIL-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.07
Rot. Bonds4

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

5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 86817205) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID86817205
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCCn2ccnc2)cc1Br
InChIInChI=1S/C12H13BrN4O2/c1-8-10(13)6-9(12(19)16-8)11(18)15-3-5-17-4-2-14-7-17/h2,4,6-7H,3,5H2,1H3,(H,15,18)(H,16,19)
InChIKeyGABXSDIEMCENIL-UHFFFAOYSA-N
XLogP1.07
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(2-imidazol-1-ylethyl)-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-(2-imidazol-1-ylethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 86817205) is 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(=O)NCCn2ccnc2)cc1Br.
What is the InChIKey of 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GABXSDIEMCENIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-8-10(13)6-9(12(19)16-8)11(18)15-3-5-17-4-2-14-7-17/h2,4,6-7H,3,5H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 325.17 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 86817205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).