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

C11H11BrN4O — CID 107519383

IUPAC3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncccc1Br)c1ncc[nH]1
InChIInChI=1S/C11H11BrN4O/c1-7(10-14-5-6-15-10)16-11(17)9-8(12)3-2-4-13-9/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyJRELPQGOJXHWTJ-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.06
Rot. Bonds3

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

3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 107519383) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID107519383
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncccc1Br)c1ncc[nH]1
InChIInChI=1S/C11H11BrN4O/c1-7(10-14-5-6-15-10)16-11(17)9-8(12)3-2-4-13-9/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyJRELPQGOJXHWTJ-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

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Related Compounds

2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 107261346
3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide
CID 114020145
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107518059
3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
CID 107517908
3-bromo-N-(1-bromo-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 107526264
3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide
CID 107519243
3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 107526234
3-bromo-N-(5-bromopentan-2-yl)pyridine-2-carboxamide
CID 107526265
(2S)-2-[(3-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107517042
3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide
CID 107519381

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide (CID 107519383) is 3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide is CC(NC(=O)c1ncccc1Br)c1ncc[nH]1.
What is the InChIKey of 3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is JRELPQGOJXHWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-7(10-14-5-6-15-10)16-11(17)9-8(12)3-2-4-13-9/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide?
3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-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 3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 107519383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).