4-(2-oxo-1-pyridinyl)butanehydrazide

C9H13N3O2 — CID 63572230

IUPAC4-(2-oxo-1-pyridinyl)butanehydrazide
SMILESNNC(=O)CCCn1ccccc1=O
InChIInChI=1S/C9H13N3O2/c10-11-8(13)4-3-7-12-6-2-1-5-9(12)14/h1-2,5-6H,3-4,7,10H2,(H,11,13)
InChIKeyHFLPEDXQROMXJK-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.38
Rot. Bonds4

About 4-(2-oxo-1-pyridinyl)butanehydrazide

4-(2-oxo-1-pyridinyl)butanehydrazide (PubChem CID 63572230) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(2-oxo-1-pyridinyl)butanehydrazide.

Molecular Properties

Compound Name4-(2-oxo-1-pyridinyl)butanehydrazide
PubChem CID63572230
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-(2-oxo-1-pyridinyl)butanehydrazide
SMILESNNC(=O)CCCn1ccccc1=O
InChIInChI=1S/C9H13N3O2/c10-11-8(13)4-3-7-12-6-2-1-5-9(12)14/h1-2,5-6H,3-4,7,10H2,(H,11,13)
InChIKeyHFLPEDXQROMXJK-UHFFFAOYSA-N
XLogP-0.38
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.38
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1-pyridinyl)butanehydrazide?
The IUPAC name of 4-(2-oxo-1-pyridinyl)butanehydrazide (CID 63572230) is 4-(2-oxo-1-pyridinyl)butanehydrazide.
What is the SMILES notation for 4-(2-oxo-1-pyridinyl)butanehydrazide?
The canonical SMILES for 4-(2-oxo-1-pyridinyl)butanehydrazide is NNC(=O)CCCn1ccccc1=O.
What is the InChIKey of 4-(2-oxo-1-pyridinyl)butanehydrazide?
The InChIKey is HFLPEDXQROMXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-11-8(13)4-3-7-12-6-2-1-5-9(12)14/h1-2,5-6H,3-4,7,10H2,(H,11,13).
What are the key properties of 4-(2-oxo-1-pyridinyl)butanehydrazide?
4-(2-oxo-1-pyridinyl)butanehydrazide has a molecular weight of 195.22 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1-pyridinyl)butanehydrazide is sourced from PubChem (CID 63572230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).