2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide

C11H11BrN4O — CID 107261346

IUPAC2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1Br)c1ncc[nH]1
InChIInChI=1S/C11H11BrN4O/c1-7(10-14-5-6-15-10)16-11(17)8-3-2-4-13-9(8)12/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyOVLAKFZMJSXJCO-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.06
Rot. Bonds3

About 2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide

2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 107261346) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID107261346
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1Br)c1ncc[nH]1
InChIInChI=1S/C11H11BrN4O/c1-7(10-14-5-6-15-10)16-11(17)8-3-2-4-13-9(8)12/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyOVLAKFZMJSXJCO-UHFFFAOYSA-N
XLogP2.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]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

Related Compounds

3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 107519383
3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide
CID 114020145
2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide
CID 103755407
2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 103752610
2-bromo-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 86669507
2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 105387534
2-bromo-N-pentan-3-ylpyridine-3-carboxamide
CID 103751829
methyl 2-[(2-bromopyridine-3-carbonyl)amino]-4-methylpentanoate
CID 103752237
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide
CID 103752619
tert-butyl (2R)-2-[(2-bromopyridine-3-carbonyl)amino]propanoate
CID 103774609
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
2-bromo-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 103754845

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide (CID 107261346) is 2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cccnc1Br)c1ncc[nH]1.
What is the InChIKey of 2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is OVLAKFZMJSXJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-7(10-14-5-6-15-10)16-11(17)8-3-2-4-13-9(8)12/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide?
2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 107261346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).