N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C13H15BrN2O2 — CID 75430218

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)C1CC2CCC1O2
InChIInChI=1S/C13H15BrN2O2/c1-7-4-8(14)6-15-12(7)16-13(17)10-5-9-2-3-11(10)18-9/h4,6,9-11H,2-3,5H2,1H3,(H,15,16,17)
InChIKeyHRJUTJQPAGAUMH-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.66
Rot. Bonds2

About N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 75430218) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID75430218
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)C1CC2CCC1O2
InChIInChI=1S/C13H15BrN2O2/c1-7-4-8(14)6-15-12(7)16-13(17)10-5-9-2-3-11(10)18-9/h4,6,9-11H,2-3,5H2,1H3,(H,15,16,17)
InChIKeyHRJUTJQPAGAUMH-UHFFFAOYSA-N
XLogP2.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 75430218) is N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is Cc1cc(Br)cnc1NC(=O)C1CC2CCC1O2.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is HRJUTJQPAGAUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-7-4-8(14)6-15-12(7)16-13(17)10-5-9-2-3-11(10)18-9/h4,6,9-11H,2-3,5H2,1H3,(H,15,16,17).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 75430218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).