2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide

C13H13BrN4O2 — CID 81420199

IUPAC2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1cnc(Br)cn1
InChIInChI=1S/C13H13BrN4O2/c1-2-20-9-5-3-4-8(15)12(9)13(19)18-11-7-16-10(14)6-17-11/h3-7H,2,15H2,1H3,(H,17,18,19)
InChIKeyFTGJFTCFKDSVTK-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.47
Rot. Bonds4

About 2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide

2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide (PubChem CID 81420199) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide
PubChem CID81420199
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1cnc(Br)cn1
InChIInChI=1S/C13H13BrN4O2/c1-2-20-9-5-3-4-8(15)12(9)13(19)18-11-7-16-10(14)6-17-11/h3-7H,2,15H2,1H3,(H,17,18,19)
InChIKeyFTGJFTCFKDSVTK-UHFFFAOYSA-N
XLogP2.47
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide 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-amino-N-(2-bromophenyl)-6-ethoxybenzamide
CID 81410099
2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide
CID 81420449
2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide
CID 81410023
2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide
CID 81394291
2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 81409659
2-amino-N-(2-bromo-5-chlorophenyl)-6-ethoxybenzamide
CID 81394707
2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594556
2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide
CID 81395946
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
2-amino-N-(3-chloro-2-pyridinyl)-6-ethoxybenzamide
CID 103093864
2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
CID 81394623

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide?
The IUPAC name of 2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide (CID 81420199) is 2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide.
What is the SMILES notation for 2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide?
The canonical SMILES for 2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide is CCOc1cccc(N)c1C(=O)Nc1cnc(Br)cn1.
What is the InChIKey of 2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide?
The InChIKey is FTGJFTCFKDSVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-2-20-9-5-3-4-8(15)12(9)13(19)18-11-7-16-10(14)6-17-11/h3-7H,2,15H2,1H3,(H,17,18,19).
What are the key properties of 2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide?
2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide has a molecular weight of 337.18 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide is sourced from PubChem (CID 81420199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).