N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide

C19H17BrN4O — CID 109289795

IUPACN-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccccc3C)cn2)c(Br)c1
InChIInChI=1S/C19H17BrN4O/c1-12-7-8-16(14(20)9-12)24-19(25)17-10-22-18(11-21-17)23-15-6-4-3-5-13(15)2/h3-11H,1-2H3,(H,22,23)(H,24,25)
InChIKeyQEIHIXYEOAYJRF-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.85
Rot. Bonds4

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

N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide (PubChem CID 109289795) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
PubChem CID109289795
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccccc3C)cn2)c(Br)c1
InChIInChI=1S/C19H17BrN4O/c1-12-7-8-16(14(20)9-12)24-19(25)17-10-22-18(11-21-17)23-15-6-4-3-5-13(15)2/h3-11H,1-2H3,(H,22,23)(H,24,25)
InChIKeyQEIHIXYEOAYJRF-UHFFFAOYSA-N
XLogP4.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289697
5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289632
5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290079
N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274228
N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290955
5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289526
5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 107373934
5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109290834
5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289712
5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294393
5-(2-bromo-4-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272501

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide (CID 109289795) is N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(Nc3ccccc3C)cn2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide?
The InChIKey is QEIHIXYEOAYJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-12-7-8-16(14(20)9-12)24-19(25)17-10-22-18(11-21-17)23-15-6-4-3-5-13(15)2/h3-11H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide?
N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109289795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).