5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide

C13H12BrN3O — CID 112520266

IUPAC5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnc(Br)cn1)c1ccccc1
InChIInChI=1S/C13H12BrN3O/c1-9(10-5-3-2-4-6-10)17-13(18)11-7-16-12(14)8-15-11/h2-9H,1H3,(H,17,18)
InChIKeyIIZUTUDSETXYAG-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.73
Rot. Bonds3

About 5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide

5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide (PubChem CID 112520266) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide
PubChem CID112520266
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnc(Br)cn1)c1ccccc1
InChIInChI=1S/C13H12BrN3O/c1-9(10-5-3-2-4-6-10)17-13(18)11-7-16-12(14)8-15-11/h2-9H,1H3,(H,17,18)
InChIKeyIIZUTUDSETXYAG-UHFFFAOYSA-N
XLogP2.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide
CID 103874025
5-(diethylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280789
5-bromo-N-[(1S)-1-phenylethyl]pyrimidine-2-carboxamide
CID 146610246
5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280802
5-(2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280804
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109280820
5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280827
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide
CID 107863938
5-(4-acetylpiperazin-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109279167
5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188944

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide (CID 112520266) is 5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide is CC(NC(=O)c1cnc(Br)cn1)c1ccccc1.
What is the InChIKey of 5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is IIZUTUDSETXYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-9(10-5-3-2-4-6-10)17-13(18)11-7-16-12(14)8-15-11/h2-9H,1H3,(H,17,18).
What are the key properties of 5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide?
5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 112520266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).