5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide

C9H9N7O3 — CID 114195920

IUPAC5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide
SMILESNNc1cnc([N+](=O)[O-])cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C9H9N7O3/c10-15-6-4-13-7(16(18)19)3-5(6)8(17)14-9-11-1-2-12-9/h1-4,15H,10H2,(H2,11,12,14,17)
InChIKeyYMDJIFAIYFSEBF-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.25
Rot. Bonds4

About 5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide

5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide (PubChem CID 114195920) has the molecular formula C9H9N7O3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide
PubChem CID114195920
Molecular FormulaC9H9N7O3
Molecular Weight263.22 g/mol
Exact Mass263.08
IUPAC Name5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide
SMILESNNc1cnc([N+](=O)[O-])cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C9H9N7O3/c10-15-6-4-13-7(16(18)19)3-5(6)8(17)14-9-11-1-2-12-9/h1-4,15H,10H2,(H2,11,12,14,17)
InChIKeyYMDJIFAIYFSEBF-UHFFFAOYSA-N
XLogP0.25
TPSA151.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide
CID 114271700
2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide
CID 112580702
N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide
CID 65461031
2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide
CID 107200538
2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide
CID 60764792
2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide
CID 63563942
N-(1H-imidazol-2-yl)-2-(methylamino)benzamide
CID 63563761
2-(ethylamino)-N-(1H-imidazol-2-yl)-3-nitrobenzamide
CID 115936763
1-amino-3-(1H-imidazol-2-yl)urea
CID 154210460
3-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64525652
N-(1H-imidazol-2-yl)-2-methylbenzamide
CID 60968635
2,4-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 55027572

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide?
The IUPAC name of 5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide (CID 114195920) is 5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide.
What is the SMILES notation for 5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide?
The canonical SMILES for 5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide is NNc1cnc([N+](=O)[O-])cc1C(=O)Nc1ncc[nH]1.
What is the InChIKey of 5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide?
The InChIKey is YMDJIFAIYFSEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O3/c10-15-6-4-13-7(16(18)19)3-5(6)8(17)14-9-11-1-2-12-9/h1-4,15H,10H2,(H2,11,12,14,17).
What are the key properties of 5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide?
5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide has a molecular weight of 263.22 g/mol, XLogP of 0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide is sourced from PubChem (CID 114195920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).