5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide

C12H11BrN4O — CID 107373934

IUPAC5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N)cn2)c(Br)c1
InChIInChI=1S/C12H11BrN4O/c1-7-2-3-9(8(13)4-7)17-12(18)10-5-16-11(14)6-15-10/h2-6H,1H3,(H2,14,16)(H,17,18)
InChIKeyBMWCCJYKNKTRQN-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.38
Rot. Bonds2

About 5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide

5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 107373934) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide
PubChem CID107373934
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N)cn2)c(Br)c1
InChIInChI=1S/C12H11BrN4O/c1-7-2-3-9(8(13)4-7)17-12(18)10-5-16-11(14)6-15-10/h2-6H,1H3,(H2,14,16)(H,17,18)
InChIKeyBMWCCJYKNKTRQN-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

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Related Compounds

5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide
CID 107374346
6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62239067
4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62153202
N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274228
N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289795
N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide
CID 109195255
5-amino-N-(4-bromo-2-cyanophenyl)pyrazine-2-carboxamide
CID 107376526
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
5-amino-N-(2,4,6-tribromophenyl)pyrazine-2-carboxamide
CID 107374395
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide
CID 62001176
N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7929866
N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
CID 110862940

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide (CID 107373934) is 5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(N)cn2)c(Br)c1.
What is the InChIKey of 5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is BMWCCJYKNKTRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c1-7-2-3-9(8(13)4-7)17-12(18)10-5-16-11(14)6-15-10/h2-6H,1H3,(H2,14,16)(H,17,18).
What are the key properties of 5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide?
5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide 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 5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107373934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).