5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide

C18H15BrN4O — CID 109290079

IUPAC5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccccc3Br)cn2)cc1
InChIInChI=1S/C18H15BrN4O/c1-12-6-8-13(9-7-12)22-18(24)16-10-21-17(11-20-16)23-15-5-3-2-4-14(15)19/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyZYPUGKJDSGWXPM-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.54
Rot. Bonds4

About 5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide

5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109290079) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
PubChem CID109290079
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccccc3Br)cn2)cc1
InChIInChI=1S/C18H15BrN4O/c1-12-6-8-13(9-7-12)22-18(24)16-10-21-17(11-20-16)23-15-5-3-2-4-14(15)19/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyZYPUGKJDSGWXPM-UHFFFAOYSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290035
5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289697
5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289423
5-(2-ethoxyanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290053
5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109294334
5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294393
N-(3-bromo-4-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290143
5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271317
N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289795
5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109290106
5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294390

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide (CID 109290079) is 5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(Nc3ccccc3Br)cn2)cc1.
What is the InChIKey of 5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is ZYPUGKJDSGWXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-12-6-8-13(9-7-12)22-18(24)16-10-21-17(11-20-16)23-15-5-3-2-4-14(15)19/h2-11H,1H3,(H,21,23)(H,22,24).
What are the key properties of 5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide?
5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109290079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).