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

C12H10BrN3O — CID 104851956

IUPAC3-bromo-5-methyl-N-pyrazin-2-ylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cnccn2)c1
InChIInChI=1S/C12H10BrN3O/c1-8-4-9(6-10(13)5-8)12(17)16-11-7-14-2-3-15-11/h2-7H,1H3,(H,15,16,17)
InChIKeyGKJWDMBVLFUTSN-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.80
Rot. Bonds2

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

3-bromo-5-methyl-N-pyrazin-2-ylbenzamide (PubChem CID 104851956) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-pyrazin-2-ylbenzamide
PubChem CID104851956
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name3-bromo-5-methyl-N-pyrazin-2-ylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cnccn2)c1
InChIInChI=1S/C12H10BrN3O/c1-8-4-9(6-10(13)5-8)12(17)16-11-7-14-2-3-15-11/h2-7H,1H3,(H,15,16,17)
InChIKeyGKJWDMBVLFUTSN-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dihydroxy-N-pyrazin-2-ylbenzamide
CID 107703696
3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 113349571
3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide
CID 102989546
3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide
CID 107872270
3-[(3-bromo-5-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 104850800
N-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
3,5-dibromo-N-(5-methyl-2-pyridinyl)benzamide
CID 103907650
3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-5-methylbenzamide
CID 113460607
3-hydroxy-4-methyl-N-pyrazin-2-ylbenzamide
CID 43616193
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104853008
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-pyrazin-2-ylbenzamide?
The IUPAC name of 3-bromo-5-methyl-N-pyrazin-2-ylbenzamide (CID 104851956) is 3-bromo-5-methyl-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 3-bromo-5-methyl-N-pyrazin-2-ylbenzamide is Cc1cc(Br)cc(C(=O)Nc2cnccn2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-pyrazin-2-ylbenzamide?
The InChIKey is GKJWDMBVLFUTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-8-4-9(6-10(13)5-8)12(17)16-11-7-14-2-3-15-11/h2-7H,1H3,(H,15,16,17).
What are the key properties of 3-bromo-5-methyl-N-pyrazin-2-ylbenzamide?
3-bromo-5-methyl-N-pyrazin-2-ylbenzamide has a molecular weight of 292.14 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 104851956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).