2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide

C10H9BrN4O — CID 103755502

IUPAC2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cnc[nH]1)c1ccnc(Br)c1
InChIInChI=1S/C10H9BrN4O/c11-9-3-7(1-2-13-9)10(16)14-5-8-4-12-6-15-8/h1-4,6H,5H2,(H,12,15)(H,14,16)
InChIKeyYZBVZBCQVSYSIH-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.50
Rot. Bonds3

About 2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide

2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide (PubChem CID 103755502) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide
PubChem CID103755502
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cnc[nH]1)c1ccnc(Br)c1
InChIInChI=1S/C10H9BrN4O/c11-9-3-7(1-2-13-9)10(16)14-5-8-4-12-6-15-8/h1-4,6H,5H2,(H,12,15)(H,14,16)
InChIKeyYZBVZBCQVSYSIH-UHFFFAOYSA-N
XLogP1.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide
CID 103725236
N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide
CID 104628648
2-bromo-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114037435
4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide
CID 104783039
2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384629
2-bromo-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 103752408
2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 103755038
2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752326
2-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 65236308
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 103752547
2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
CID 103755430
2-bromo-N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 103754460

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide (CID 103755502) is 2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide is O=C(NCc1cnc[nH]1)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide?
The InChIKey is YZBVZBCQVSYSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c11-9-3-7(1-2-13-9)10(16)14-5-8-4-12-6-15-8/h1-4,6H,5H2,(H,12,15)(H,14,16).
What are the key properties of 2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide?
2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide has a molecular weight of 281.11 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 103755502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).