N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide

C13H12BrN3O2 — CID 61066772

IUPACN-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=O)cn1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrN3O2/c1-8(9-2-4-10(14)5-3-9)17-13(19)11-6-16-12(18)7-15-11/h2-8H,1H3,(H,16,18)(H,17,19)
InChIKeyCWIKTWZDQPOZLM-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.02
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide

N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 61066772) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID61066772
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC NameN-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=O)cn1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrN3O2/c1-8(9-2-4-10(14)5-3-9)17-13(19)11-6-16-12(18)7-15-11/h2-8H,1H3,(H,16,18)(H,17,19)
InChIKeyCWIKTWZDQPOZLM-UHFFFAOYSA-N
XLogP2.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 62954039
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 93317785
N-[1-(4-bromophenyl)ethyl]-1-methylimidazole-4-carboxamide
CID 113340016
N-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60638460
N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 61067307
2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374400
N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 47059465
N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide
CID 112705396
N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43500413
5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 112520266
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81360148
N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 91776352

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 61066772) is N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide is CC(NC(=O)c1c[nH]c(=O)cn1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is CWIKTWZDQPOZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-8(9-2-4-10(14)5-3-9)17-13(19)11-6-16-12(18)7-15-11/h2-8H,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 322.16 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 61066772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).