5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide

C12H15BrN4O2 — CID 80732025

IUPAC5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)NC1CC2CCC1O2
InChIInChI=1S/C12H15BrN4O2/c13-6-3-8(11(17-14)15-5-6)12(18)16-9-4-7-1-2-10(9)19-7/h3,5,7,9-10H,1-2,4,14H2,(H,15,17)(H,16,18)
InChIKeyWIQMJGCSXPUTTD-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.18
Rot. Bonds3

About 5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide

5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide (PubChem CID 80732025) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide
PubChem CID80732025
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Name5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)NC1CC2CCC1O2
InChIInChI=1S/C12H15BrN4O2/c13-6-3-8(11(17-14)15-5-6)12(18)16-9-4-7-1-2-10(9)19-7/h3,5,7,9-10H,1-2,4,14H2,(H,15,17)(H,16,18)
InChIKeyWIQMJGCSXPUTTD-UHFFFAOYSA-N
XLogP1.18
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.18
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 5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide (CID 80732025) is 5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide is NNc1ncc(Br)cc1C(=O)NC1CC2CCC1O2.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide?
The InChIKey is WIQMJGCSXPUTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c13-6-3-8(11(17-14)15-5-6)12(18)16-9-4-7-1-2-10(9)19-7/h3,5,7,9-10H,1-2,4,14H2,(H,15,17)(H,16,18).
What are the key properties of 5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide?
5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide has a molecular weight of 327.18 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 80732025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).