2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide

C14H9BrN4O — CID 103754637

IUPAC2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2nccnc2c1)c1cccnc1Br
InChIInChI=1S/C14H9BrN4O/c15-13-10(2-1-5-18-13)14(20)19-9-3-4-11-12(8-9)17-7-6-16-11/h1-8H,(H,19,20)
InChIKeyLZMHQLYXVDWLPI-UHFFFAOYSA-N
MW329.16 g/mol
LogP3.04
Rot. Bonds2

About 2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide

2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide (PubChem CID 103754637) has the molecular formula C14H9BrN4O and a molecular weight of 329.16 g/mol. Its IUPAC name is 2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide
PubChem CID103754637
Molecular FormulaC14H9BrN4O
Molecular Weight329.16 g/mol
Exact Mass328.00
IUPAC Name2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2nccnc2c1)c1cccnc1Br
InChIInChI=1S/C14H9BrN4O/c15-13-10(2-1-5-18-13)14(20)19-9-3-4-11-12(8-9)17-7-6-16-11/h1-8H,(H,19,20)
InChIKeyLZMHQLYXVDWLPI-UHFFFAOYSA-N
XLogP3.04
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 53.04
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-quinoxalin-6-ylpyridine-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

Related Compounds

2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 103752138
2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751889
N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide
CID 103754215
2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide
CID 103753980
2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide
CID 103931944
2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide
CID 103751776
4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide
CID 60811844
2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 103754024
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751854
4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide
CID 47254936

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide (CID 103754637) is 2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide is O=C(Nc1ccc2nccnc2c1)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide?
The InChIKey is LZMHQLYXVDWLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4O/c15-13-10(2-1-5-18-13)14(20)19-9-3-4-11-12(8-9)17-7-6-16-11/h1-8H,(H,19,20).
What are the key properties of 2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide?
2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide has a molecular weight of 329.16 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide is sourced from PubChem (CID 103754637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).