N'-(5-fluoro-2-pyridinyl)-4-azaspiro[2.5]octane-4-carbohydrazide

C13H17FN4O — CID 86687264

IUPACN'-(5-fluoro-2-pyridinyl)-4-azaspiro[2.5]octane-4-carbohydrazide
SMILESO=C(NNc1ccc(F)cn1)N1CCCCC12CC2
InChIInChI=1S/C13H17FN4O/c14-10-3-4-11(15-9-10)16-17-12(19)18-8-2-1-5-13(18)6-7-13/h3-4,9H,1-2,5-8H2,(H,15,16)(H,17,19)
InChIKeyATSDPECUAHDKLE-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.28
Rot. Bonds2

About N'-(5-fluoro-2-pyridinyl)-4-azaspiro[2.5]octane-4-carbohydrazide

N'-(5-fluoro-2-pyridinyl)-4-azaspiro[2.5]octane-4-carbohydrazide (PubChem CID 86687264) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is N'-(5-fluoro-2-pyridinyl)-4-azaspiro[2.5]octane-4-carbohydrazide.

Molecular Properties

Compound NameN'-(5-fluoro-2-pyridinyl)-4-azaspiro[2.5]octane-4-carbohydrazide
PubChem CID86687264
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC NameN'-(5-fluoro-2-pyridinyl)-4-azaspiro[2.5]octane-4-carbohydrazide
SMILESO=C(NNc1ccc(F)cn1)N1CCCCC12CC2
InChIInChI=1S/C13H17FN4O/c14-10-3-4-11(15-9-10)16-17-12(19)18-8-2-1-5-13(18)6-7-13/h3-4,9H,1-2,5-8H2,(H,15,16)(H,17,19)
InChIKeyATSDPECUAHDKLE-UHFFFAOYSA-N
XLogP2.28
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-2-pyridinyl)-4-azaspiro[2.5]octane-4-carbohydrazide?
The IUPAC name of N'-(5-fluoro-2-pyridinyl)-4-azaspiro[2.5]octane-4-carbohydrazide (CID 86687264) is N'-(5-fluoro-2-pyridinyl)-4-azaspiro[2.5]octane-4-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-2-pyridinyl)-4-azaspiro[2.5]octane-4-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-2-pyridinyl)-4-azaspiro[2.5]octane-4-carbohydrazide is O=C(NNc1ccc(F)cn1)N1CCCCC12CC2.
What is the InChIKey of N'-(5-fluoro-2-pyridinyl)-4-azaspiro[2.5]octane-4-carbohydrazide?
The InChIKey is ATSDPECUAHDKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c14-10-3-4-11(15-9-10)16-17-12(19)18-8-2-1-5-13(18)6-7-13/h3-4,9H,1-2,5-8H2,(H,15,16)(H,17,19).
What are the key properties of N'-(5-fluoro-2-pyridinyl)-4-azaspiro[2.5]octane-4-carbohydrazide?
N'-(5-fluoro-2-pyridinyl)-4-azaspiro[2.5]octane-4-carbohydrazide has a molecular weight of 264.30 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-2-pyridinyl)-4-azaspiro[2.5]octane-4-carbohydrazide is sourced from PubChem (CID 86687264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).