N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide

C12H10BrN3O — CID 110699072

IUPACN-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnccn2)cc1Br
InChIInChI=1S/C12H10BrN3O/c1-8-2-3-9(6-10(8)13)16-12(17)11-7-14-4-5-15-11/h2-7H,1H3,(H,16,17)
InChIKeyVTMHMDJQHJBDHI-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.80
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide

N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 110699072) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
PubChem CID110699072
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC NameN-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnccn2)cc1Br
InChIInChI=1S/C12H10BrN3O/c1-8-2-3-9(6-10(8)13)16-12(17)11-7-14-4-5-15-11/h2-7H,1H3,(H,16,17)
InChIKeyVTMHMDJQHJBDHI-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

Analyze N-(3-bromo-4-methylphenyl)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

N-(4-bromo-3-methylphenyl)pyrazine-2-carboxamide
CID 3273013
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
3-[2-methyl-4-(pyrazine-2-carbonylamino)phenyl]prop-2-enoic acid
CID 76937084
N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 803312
N-(3-bromo-4-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290143
N-(3-bromo-4-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283435
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]pyrazine-2-carboxamide
CID 62200861
N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide
CID 110859766
N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide
CID 61068672
N-(4-sulfanylphenyl)pyrazine-2-carboxamide
CID 137223268

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide (CID 110699072) is N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnccn2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is VTMHMDJQHJBDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-8-2-3-9(6-10(8)13)16-12(17)11-7-14-4-5-15-11/h2-7H,1H3,(H,16,17).
What are the key properties of N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide?
N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide 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 N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 110699072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).