N'-acetylpyridine-2-carbohydrazide

C8H9N3O2 — CID 28545

IUPACN'-acetylpyridine-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C8H9N3O2/c1-6(12)10-11-8(13)7-4-2-3-5-9-7/h2-5H,1H3,(H,10,12)(H,11,13)
InChIKeyFDJAMXYLIRPRIS-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.14
Rot. Bonds1

About N'-acetylpyridine-2-carbohydrazide

N'-acetylpyridine-2-carbohydrazide (PubChem CID 28545) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is N'-acetylpyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-acetylpyridine-2-carbohydrazide
PubChem CID28545
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC NameN'-acetylpyridine-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C8H9N3O2/c1-6(12)10-11-8(13)7-4-2-3-5-9-7/h2-5H,1H3,(H,10,12)(H,11,13)
InChIKeyFDJAMXYLIRPRIS-UHFFFAOYSA-N
XLogP-0.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Pyridine-2-carboxylic acid (2-amino-phenyl)-amide
CID 817096
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Frequently Asked Questions

What is the IUPAC name of N'-acetylpyridine-2-carbohydrazide?
The IUPAC name of N'-acetylpyridine-2-carbohydrazide (CID 28545) is N'-acetylpyridine-2-carbohydrazide.
What is the SMILES notation for N'-acetylpyridine-2-carbohydrazide?
The canonical SMILES for N'-acetylpyridine-2-carbohydrazide is CC(=O)NNC(=O)c1ccccn1.
What is the InChIKey of N'-acetylpyridine-2-carbohydrazide?
The InChIKey is FDJAMXYLIRPRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-6(12)10-11-8(13)7-4-2-3-5-9-7/h2-5H,1H3,(H,10,12)(H,11,13).
What are the key properties of N'-acetylpyridine-2-carbohydrazide?
N'-acetylpyridine-2-carbohydrazide has a molecular weight of 179.18 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetylpyridine-2-carbohydrazide is sourced from PubChem (CID 28545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).