N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide

C19H17BrN4O — CID 109290333

IUPACN-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N(C)c3ccccc3)cn2)cc1Br
InChIInChI=1S/C19H17BrN4O/c1-13-8-9-14(10-16(13)20)23-19(25)17-11-22-18(12-21-17)24(2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,25)
InChIKeyFKDGXATXVVZRSI-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.57
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide

N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide (PubChem CID 109290333) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
PubChem CID109290333
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N(C)c3ccccc3)cn2)cc1Br
InChIInChI=1S/C19H17BrN4O/c1-13-8-9-14(10-16(13)20)23-19(25)17-11-22-18(12-21-17)24(2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,25)
InChIKeyFKDGXATXVVZRSI-UHFFFAOYSA-N
XLogP4.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(N-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289424
N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219450
N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290357
5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109281209
N-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290311
5-(N-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109290316
5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109290312
N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283148
N-(3-bromo-4-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290143
5-(N-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283821
N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 110699072
N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289084

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide (CID 109290333) is N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(N(C)c3ccccc3)cn2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide?
The InChIKey is FKDGXATXVVZRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-8-9-14(10-16(13)20)23-19(25)17-11-22-18(12-21-17)24(2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,25).
What are the key properties of N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide?
N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109290333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).