2-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide

C12H16BrN3O2 — CID 46233338

IUPAC2-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cccnc1Br
InChIInChI=1S/C12H16BrN3O2/c13-11-10(2-1-3-14-11)12(17)15-4-5-16-6-8-18-9-7-16/h1-3H,4-9H2,(H,15,17)
InChIKeyFKGFLJZEVNCAEZ-UHFFFAOYSA-N
MW314.18 g/mol
LogP0.91
Rot. Bonds4

About 2-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide

2-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 46233338) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
PubChem CID46233338
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name2-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cccnc1Br
InChIInChI=1S/C12H16BrN3O2/c13-11-10(2-1-3-14-11)12(17)15-4-5-16-6-8-18-9-7-16/h1-3H,4-9H2,(H,15,17)
InChIKeyFKGFLJZEVNCAEZ-UHFFFAOYSA-N
XLogP0.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-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 2-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (CID 46233338) is 2-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is O=C(NCCN1CCOCC1)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is FKGFLJZEVNCAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c13-11-10(2-1-3-14-11)12(17)15-4-5-16-6-8-18-9-7-16/h1-3H,4-9H2,(H,15,17).
What are the key properties of 2-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
2-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46233338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).