5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide

C13H12BrN3O — CID 112520643

IUPAC5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnc(Br)cn1
InChIInChI=1S/C13H12BrN3O/c1-8-4-3-5-9(2)12(8)17-13(18)10-6-16-11(14)7-15-10/h3-7H,1-2H3,(H,17,18)
InChIKeyDFNKABDVWWEGGL-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.11
Rot. Bonds2

About 5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide

5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 112520643) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID112520643
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnc(Br)cn1
InChIInChI=1S/C13H12BrN3O/c1-8-4-3-5-9(2)12(8)17-13(18)10-6-16-11(14)7-15-10/h3-7H,1-2H3,(H,17,18)
InChIKeyDFNKABDVWWEGGL-UHFFFAOYSA-N
XLogP3.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-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

5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide
CID 112527061
5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide
CID 66255147
N-(2-ethyl-6-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 8761786
5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide
CID 107376052
5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 109279863
N-(5-bromopyrazin-2-yl)-5-methylpyrazine-2-carboxamide
CID 115650022
5-bromo-N-(2-chlorophenyl)pyrazine-2-carboxamide
CID 112520412
N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285561
N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262447
N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 62045312
6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558422
5-hydrazinyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 107377417

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide (CID 112520643) is 5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide is Cc1cccc(C)c1NC(=O)c1cnc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is DFNKABDVWWEGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-4-3-5-9(2)12(8)17-13(18)10-6-16-11(14)7-15-10/h3-7H,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide?
5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 112520643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).