5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide

C17H15BrN4O2 — CID 109279436

IUPAC5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCc1cc(Br)ccc1Nc1cnc(C(=O)NCc2ccco2)cn1
InChIInChI=1S/C17H15BrN4O2/c1-11-7-12(18)4-5-14(11)22-16-10-19-15(9-20-16)17(23)21-8-13-3-2-6-24-13/h2-7,9-10H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyIJCHLBUAKFIHEZ-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.81
Rot. Bonds5

About 5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide

5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109279436) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID109279436
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCc1cc(Br)ccc1Nc1cnc(C(=O)NCc2ccco2)cn1
InChIInChI=1S/C17H15BrN4O2/c1-11-7-12(18)4-5-14(11)22-16-10-19-15(9-20-16)17(23)21-8-13-3-2-6-24-13/h2-7,9-10H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyIJCHLBUAKFIHEZ-UHFFFAOYSA-N
XLogP3.81
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279368
5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279370
5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272110
N-(furan-2-ylmethyl)-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279400
5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279384
N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
CID 109279444
N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107373971
N-(furan-2-ylmethyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109368133
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
N-(furan-2-ylmethyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109209341
5-(furan-2-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109279550
5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280063

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (CID 109279436) is 5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is Cc1cc(Br)ccc1Nc1cnc(C(=O)NCc2ccco2)cn1.
What is the InChIKey of 5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is IJCHLBUAKFIHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-11-7-12(18)4-5-14(11)22-16-10-19-15(9-20-16)17(23)21-8-13-3-2-6-24-13/h2-7,9-10H,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 387.24 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109279436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).