5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide

C13H13BrN4O2 — CID 89346524

IUPAC5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(CNc2nc(Br)cnc2C(N)=O)cc1
InChIInChI=1S/C13H13BrN4O2/c1-20-9-4-2-8(3-5-9)6-17-13-11(12(15)19)16-7-10(14)18-13/h2-5,7H,6H2,1H3,(H2,15,19)(H,17,18)
InChIKeyJHFGDVAXGVDKLJ-UHFFFAOYSA-N
MW337.18 g/mol
LogP1.96
Rot. Bonds5

About 5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide

5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 89346524) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID89346524
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(CNc2nc(Br)cnc2C(N)=O)cc1
InChIInChI=1S/C13H13BrN4O2/c1-20-9-4-2-8(3-5-9)6-17-13-11(12(15)19)16-7-10(14)18-13/h2-5,7H,6H2,1H3,(H2,15,19)(H,17,18)
InChIKeyJHFGDVAXGVDKLJ-UHFFFAOYSA-N
XLogP1.96
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 71540501
3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62710099
4-amino-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid
CID 118002770
methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 175275211
ethyl 2-[(4-fluorophenyl)methylamino]-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylate
CID 178100051
ethyl 5-chloro-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxylate
CID 78358134
6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 66462090
1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]pentane-1,3-dione
CID 176616355
6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 115320291
5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine
CID 142987140
2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid
CID 178100025

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of 5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide (CID 89346524) is 5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for 5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide is COc1ccc(CNc2nc(Br)cnc2C(N)=O)cc1.
What is the InChIKey of 5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is JHFGDVAXGVDKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-20-9-4-2-8(3-5-9)6-17-13-11(12(15)19)16-7-10(14)18-13/h2-5,7H,6H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of 5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 337.18 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 89346524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).