3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide

C12H11BrN4O — CID 107872270

IUPAC3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)Nc1cnccn1
InChIInChI=1S/C12H11BrN4O/c1-7-9(4-8(13)5-10(7)14)12(18)17-11-6-15-2-3-16-11/h2-6H,14H2,1H3,(H,16,17,18)
InChIKeyDDLUMNCRPQXLEK-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.38
Rot. Bonds2

About 3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide

3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide (PubChem CID 107872270) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide
PubChem CID107872270
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)Nc1cnccn1
InChIInChI=1S/C12H11BrN4O/c1-7-9(4-8(13)5-10(7)14)12(18)17-11-6-15-2-3-16-11/h2-6H,14H2,1H3,(H,16,17,18)
InChIKeyDDLUMNCRPQXLEK-UHFFFAOYSA-N
XLogP2.38
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide
CID 107872932
4-amino-6-methyl-N-pyrazin-2-ylpyridine-3-carboxamide
CID 81242289
3-bromo-5-methyl-N-pyrazin-2-ylbenzamide
CID 104851956
3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide
CID 107872119
2-amino-4-methoxy-N-pyrazin-2-ylbenzamide
CID 113305136
3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 114011357
2-amino-4-chloro-N-pyrazin-2-ylbenzamide
CID 43616024
2-amino-3-methyl-N-pyrazin-2-ylbenzamide
CID 43616017
3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide
CID 107873022
3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide
CID 107872101
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 107872047
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
CID 107873304

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide?
The IUPAC name of 3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide (CID 107872270) is 3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide is Cc1c(N)cc(Br)cc1C(=O)Nc1cnccn1.
What is the InChIKey of 3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide?
The InChIKey is DDLUMNCRPQXLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c1-7-9(4-8(13)5-10(7)14)12(18)17-11-6-15-2-3-16-11/h2-6H,14H2,1H3,(H,16,17,18).
What are the key properties of 3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide?
3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide has a molecular weight of 307.15 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 107872270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).