3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide

C13H13BrN4O — CID 75512255

IUPAC3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESNc1ncc(Br)nc1C(=O)NCCc1ccccc1
InChIInChI=1S/C13H13BrN4O/c14-10-8-17-12(15)11(18-10)13(19)16-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,17)(H,16,19)
InChIKeyBOEXXNHGTQEBLS-UHFFFAOYSA-N
MW321.18 g/mol
LogP1.79
Rot. Bonds4

About 3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide

3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide (PubChem CID 75512255) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide
PubChem CID75512255
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESNc1ncc(Br)nc1C(=O)NCCc1ccccc1
InChIInChI=1S/C13H13BrN4O/c14-10-8-17-12(15)11(18-10)13(19)16-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,17)(H,16,19)
InChIKeyBOEXXNHGTQEBLS-UHFFFAOYSA-N
XLogP1.79
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide
CID 126987543
6-amino-5-chloro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 55043054
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 1207738
2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 53299576
2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 110852301
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate
CID 6974189
3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807337
N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide
CID 10402476
3,5-dibromo-N-(2-phenylethyl)benzamide
CID 107980021
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 19620372

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide (CID 75512255) is 3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide is Nc1ncc(Br)nc1C(=O)NCCc1ccccc1.
What is the InChIKey of 3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is BOEXXNHGTQEBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c14-10-8-17-12(15)11(18-10)13(19)16-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,17)(H,16,19).
What are the key properties of 3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide?
3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 321.18 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 75512255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).