N'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide

C7H9N3O2 — CID 95931565

IUPACN'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide
SMILESCNNC(=O)c1ccc[n+]([O-])c1
InChIInChI=1S/C7H9N3O2/c1-8-9-7(11)6-3-2-4-10(12)5-6/h2-5,8H,1H3,(H,9,11)
InChIKeyXHURVXXGDPOZTQ-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.82
Rot. Bonds2

About N'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide

N'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide (PubChem CID 95931565) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide.

Molecular Properties

Compound NameN'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide
PubChem CID95931565
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide
SMILESCNNC(=O)c1ccc[n+]([O-])c1
InChIInChI=1S/C7H9N3O2/c1-8-9-7(11)6-3-2-4-10(12)5-6/h2-5,8H,1H3,(H,9,11)
InChIKeyXHURVXXGDPOZTQ-UHFFFAOYSA-N
XLogP-0.82
TPSA68.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[bis(methylsulfanyl)methylideneamino]-1-oxidopyridin-1-ium-3-carboxamide
CID 71480275
N-(2-hydroxy-2-propylpentyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 111485093
1-oxido-3-[1,2,2-tris(1-oxidopyridin-1-ium-3-yl)ethenyl]pyridin-1-ium
CID 177451297
1-oxido-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)pyridin-1-ium-3-carbohydrazide
CID 27164726
N-(2-hydroxy-2,5-dimethylhexyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 111485416
N-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 43036246
N-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 47097031
N-[(2R)-2-[[2-(4-hydroxyphenyl)acetyl]-methylamino]propyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 166397509
N-(4-bromo-2-ethylphenyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 50739996
N'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide
CID 10132580
N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-oxidopyridin-1-ium-3-carboxamide
CID 30855451
2-methylpropyl 1-oxidopyridin-1-ium-3-carboxylate
CID 3345050

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide?
The IUPAC name of N'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide (CID 95931565) is N'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide.
What is the SMILES notation for N'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide?
The canonical SMILES for N'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide is CNNC(=O)c1ccc[n+]([O-])c1.
What is the InChIKey of N'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide?
The InChIKey is XHURVXXGDPOZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-8-9-7(11)6-3-2-4-10(12)5-6/h2-5,8H,1H3,(H,9,11).
What are the key properties of N'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide?
N'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide has a molecular weight of 167.17 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide is sourced from PubChem (CID 95931565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).