N-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide

C13H11BrN6O — CID 63565103

IUPACN-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H11BrN6O/c14-7-5-8(11(20-15)16-6-7)12(21)19-13-17-9-3-1-2-4-10(9)18-13/h1-6H,15H2,(H,16,20)(H2,17,18,19,21)
InChIKeyHEVXYXZCQMUMPX-UHFFFAOYSA-N
MW347.18 g/mol
LogP2.26
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide

N-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide (PubChem CID 63565103) has the molecular formula C13H11BrN6O and a molecular weight of 347.18 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide
PubChem CID63565103
Molecular FormulaC13H11BrN6O
Molecular Weight347.18 g/mol
Exact Mass346.02
IUPAC NameN-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H11BrN6O/c14-7-5-8(11(20-15)16-6-7)12(21)19-13-17-9-3-1-2-4-10(9)18-13/h1-6H,15H2,(H,16,20)(H2,17,18,19,21)
InChIKeyHEVXYXZCQMUMPX-UHFFFAOYSA-N
XLogP2.26
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-hydrazinylpyridine-3-carboxamide
CID 63563952
N-(1H-benzimidazol-2-yl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81245865
N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide
CID 51229009
5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 65498887
N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide
CID 63563955
5-amino-N-(1H-benzimidazol-2-yl)pyridine-2-carboxamide
CID 81316691
N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide
CID 78987804
N-(1H-benzimidazol-2-yl)-4-hydrazinylpyridine-2-carboxamide
CID 63563951
N-(1H-benzimidazol-2-yl)-2-fluorobenzamide
CID 2166675
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019
N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 27649715
N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
CID 106505887

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide (CID 63565103) is N-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide is NNc1ncc(Br)cc1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is HEVXYXZCQMUMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN6O/c14-7-5-8(11(20-15)16-6-7)12(21)19-13-17-9-3-1-2-4-10(9)18-13/h1-6H,15H2,(H,16,20)(H2,17,18,19,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide?
N-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide has a molecular weight of 347.18 g/mol, XLogP of 2.26, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 63565103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).