4-oxo-4-pyridin-4-ylbutanehydrazide

C9H11N3O2 — CID 173353561

IUPAC4-oxo-4-pyridin-4-ylbutanehydrazide
SMILESNNC(=O)CCC(=O)c1ccncc1
InChIInChI=1S/C9H11N3O2/c10-12-9(14)2-1-8(13)7-3-5-11-6-4-7/h3-6H,1-2,10H2,(H,12,14)
InChIKeyQXFXJYQSVCUTHS-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.03
Rot. Bonds4

About 4-oxo-4-pyridin-4-ylbutanehydrazide

4-oxo-4-pyridin-4-ylbutanehydrazide (PubChem CID 173353561) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-oxo-4-pyridin-4-ylbutanehydrazide.

Molecular Properties

Compound Name4-oxo-4-pyridin-4-ylbutanehydrazide
PubChem CID173353561
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-oxo-4-pyridin-4-ylbutanehydrazide
SMILESNNC(=O)CCC(=O)c1ccncc1
InChIInChI=1S/C9H11N3O2/c10-12-9(14)2-1-8(13)7-3-5-11-6-4-7/h3-6H,1-2,10H2,(H,12,14)
InChIKeyQXFXJYQSVCUTHS-UHFFFAOYSA-N
XLogP0.03
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 69045386
CID 69045386
pyridine-4-carbohydrazide;trihydrate;hydrochloride
CID 67630424
3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63573503
4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27699850
hydrazinecarboxylic acid;pyridine-4-carboxylic acid
CID 161178249
5-(4-chlorophenyl)-5-oxopentanehydrazide
CID 171817093
butanedihydrazide;hydrochloride
CID 54607274
2,4-dioxo-4-pyridin-4-ylbutanoic acid
CID 516697
molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide
CID 161308535
1-pyridin-4-ylhexadecan-1-one
CID 102412701
2-(4-aminophenyl)-1-pyridin-4-ylethanone
CID 154541759
3-ethoxy-1-pyridin-4-ylpropan-1-one
CID 114997236

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-pyridin-4-ylbutanehydrazide?
The IUPAC name of 4-oxo-4-pyridin-4-ylbutanehydrazide (CID 173353561) is 4-oxo-4-pyridin-4-ylbutanehydrazide.
What is the SMILES notation for 4-oxo-4-pyridin-4-ylbutanehydrazide?
The canonical SMILES for 4-oxo-4-pyridin-4-ylbutanehydrazide is NNC(=O)CCC(=O)c1ccncc1.
What is the InChIKey of 4-oxo-4-pyridin-4-ylbutanehydrazide?
The InChIKey is QXFXJYQSVCUTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-12-9(14)2-1-8(13)7-3-5-11-6-4-7/h3-6H,1-2,10H2,(H,12,14).
What are the key properties of 4-oxo-4-pyridin-4-ylbutanehydrazide?
4-oxo-4-pyridin-4-ylbutanehydrazide has a molecular weight of 193.21 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-pyridin-4-ylbutanehydrazide is sourced from PubChem (CID 173353561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).