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

C13H12N6O — CID 63563952

IUPACN-(1H-benzimidazol-2-yl)-2-hydrazinylpyridine-3-carboxamide
SMILESNNc1ncccc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H12N6O/c14-19-11-8(4-3-7-15-11)12(20)18-13-16-9-5-1-2-6-10(9)17-13/h1-7H,14H2,(H,15,19)(H2,16,17,18,20)
InChIKeyDBMHMVSMSDGCHT-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.50
Rot. Bonds3

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

N-(1H-benzimidazol-2-yl)-2-hydrazinylpyridine-3-carboxamide (PubChem CID 63563952) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-hydrazinylpyridine-3-carboxamide
PubChem CID63563952
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC NameN-(1H-benzimidazol-2-yl)-2-hydrazinylpyridine-3-carboxamide
SMILESNNc1ncccc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H12N6O/c14-19-11-8(4-3-7-15-11)12(20)18-13-16-9-5-1-2-6-10(9)17-13/h1-7H,14H2,(H,15,19)(H2,16,17,18,20)
InChIKeyDBMHMVSMSDGCHT-UHFFFAOYSA-N
XLogP1.50
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.50
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)-5-bromo-2-hydrazinylpyridine-3-carboxamide
CID 63565103
N-(1H-benzimidazol-2-yl)-2-fluorobenzamide
CID 2166675
N-(1H-benzimidazol-2-yl)-4-hydrazinylpyridine-2-carboxamide
CID 63563951
2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide
CID 105386285
N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide
CID 63563955
N-(1H-benzimidazol-2-yl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81245865
2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide
CID 63565257
5-amino-N-(1H-benzimidazol-2-yl)pyridine-2-carboxamide
CID 81316691
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 63565075
N-(1H-benzimidazol-2-yl)-1,2-thiazole-5-carboxamide
CID 21452404

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-hydrazinylpyridine-3-carboxamide (CID 63563952) is N-(1H-benzimidazol-2-yl)-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-hydrazinylpyridine-3-carboxamide is NNc1ncccc1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is DBMHMVSMSDGCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c14-19-11-8(4-3-7-15-11)12(20)18-13-16-9-5-1-2-6-10(9)17-13/h1-7H,14H2,(H,15,19)(H2,16,17,18,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-hydrazinylpyridine-3-carboxamide?
N-(1H-benzimidazol-2-yl)-2-hydrazinylpyridine-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.50, 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)-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 63563952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).