4-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide

C12H16N4O2 — CID 80732802

IUPAC4-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide
SMILESNNc1ccnc(C(=O)NC2CC3CCC2O3)c1
InChIInChI=1S/C12H16N4O2/c13-16-7-3-4-14-10(5-7)12(17)15-9-6-8-1-2-11(9)18-8/h3-5,8-9,11H,1-2,6,13H2,(H,14,16)(H,15,17)
InChIKeyYACUYGHXLRSJGU-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.42
Rot. Bonds3

About 4-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide

4-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide (PubChem CID 80732802) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide
PubChem CID80732802
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide
SMILESNNc1ccnc(C(=O)NC2CC3CCC2O3)c1
InChIInChI=1S/C12H16N4O2/c13-16-7-3-4-14-10(5-7)12(17)15-9-6-8-1-2-11(9)18-8/h3-5,8-9,11H,1-2,6,13H2,(H,14,16)(H,15,17)
InChIKeyYACUYGHXLRSJGU-UHFFFAOYSA-N
XLogP0.42
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide (CID 80732802) is 4-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide is NNc1ccnc(C(=O)NC2CC3CCC2O3)c1.
What is the InChIKey of 4-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide?
The InChIKey is YACUYGHXLRSJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-16-7-3-4-14-10(5-7)12(17)15-9-6-8-1-2-11(9)18-8/h3-5,8-9,11H,1-2,6,13H2,(H,14,16)(H,15,17).
What are the key properties of 4-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide?
4-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 80732802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).