3-oxo-3-pyridin-3-ylpropanehydrazide

C8H9N3O2 — CID 150015439

IUPAC3-oxo-3-pyridin-3-ylpropanehydrazide
SMILESNNC(=O)CC(=O)c1cccnc1
InChIInChI=1S/C8H9N3O2/c9-11-8(13)4-7(12)6-2-1-3-10-5-6/h1-3,5H,4,9H2,(H,11,13)
InChIKeyDEDWYINEFRBWJO-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.36
Rot. Bonds3

About 3-oxo-3-pyridin-3-ylpropanehydrazide

3-oxo-3-pyridin-3-ylpropanehydrazide (PubChem CID 150015439) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-oxo-3-pyridin-3-ylpropanehydrazide.

Molecular Properties

Compound Name3-oxo-3-pyridin-3-ylpropanehydrazide
PubChem CID150015439
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name3-oxo-3-pyridin-3-ylpropanehydrazide
SMILESNNC(=O)CC(=O)c1cccnc1
InChIInChI=1S/C8H9N3O2/c9-11-8(13)4-7(12)6-2-1-3-10-5-6/h1-3,5H,4,9H2,(H,11,13)
InChIKeyDEDWYINEFRBWJO-UHFFFAOYSA-N
XLogP-0.36
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydrazinyl-2-oxoethyl)pyridine-3-carboxamide
CID 39070404
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608
1-[6-(3-oxo-3-pyridin-3-ylpropanoyl)-2-pyridinyl]-3-pyridin-3-ylpropane-1,3-dione
CID 123224159
4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione;hydrochloride
CID 163330137
1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione
CID 4267792
methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate
CID 21058132
1-pyridin-3-yl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 22925185
tert-butyl 3-oxo-3-pyridin-3-ylpropanoate
CID 22925074
CID 172748531
CID 172748531
hydrazinyl pyridine-3-carboxylate
CID 22603598
1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321352
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-pyridin-3-ylpropanehydrazide?
The IUPAC name of 3-oxo-3-pyridin-3-ylpropanehydrazide (CID 150015439) is 3-oxo-3-pyridin-3-ylpropanehydrazide.
What is the SMILES notation for 3-oxo-3-pyridin-3-ylpropanehydrazide?
The canonical SMILES for 3-oxo-3-pyridin-3-ylpropanehydrazide is NNC(=O)CC(=O)c1cccnc1.
What is the InChIKey of 3-oxo-3-pyridin-3-ylpropanehydrazide?
The InChIKey is DEDWYINEFRBWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-11-8(13)4-7(12)6-2-1-3-10-5-6/h1-3,5H,4,9H2,(H,11,13).
What are the key properties of 3-oxo-3-pyridin-3-ylpropanehydrazide?
3-oxo-3-pyridin-3-ylpropanehydrazide has a molecular weight of 179.18 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-pyridin-3-ylpropanehydrazide is sourced from PubChem (CID 150015439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).