5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide

C17H21BrN4O — CID 109288276

IUPAC5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2ccc(C)c(Br)c2)cn1
InChIInChI=1S/C17H21BrN4O/c1-4-5-8-22(3)17(23)15-10-20-16(11-19-15)21-13-7-6-12(2)14(18)9-13/h6-7,9-11H,4-5,8H2,1-3H3,(H,20,21)
InChIKeyRCHFQDSUZDXILD-UHFFFAOYSA-N
MW377.29 g/mol
LogP4.16
Rot. Bonds6

About 5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide

5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide (PubChem CID 109288276) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is 5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide
PubChem CID109288276
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC Name5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2ccc(C)c(Br)c2)cn1
InChIInChI=1S/C17H21BrN4O/c1-4-5-8-22(3)17(23)15-10-20-16(11-19-15)21-13-7-6-12(2)14(18)9-13/h6-7,9-11H,4-5,8H2,1-3H3,(H,20,21)
InChIKeyRCHFQDSUZDXILD-UHFFFAOYSA-N
XLogP4.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288311
2-(3-bromo-4-methylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
CID 109333683
5-(4-bromo-3-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272503
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109288297
N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide
CID 109288338
5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288979
N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288269
N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288302
N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288254
N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354751
N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide
CID 109288114
N-butyl-5-(3-chloro-4-methylanilino)-N-methylpyridine-2-carboxamide
CID 109195962

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide (CID 109288276) is 5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide is CCCCN(C)C(=O)c1cnc(Nc2ccc(C)c(Br)c2)cn1.
What is the InChIKey of 5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide?
The InChIKey is RCHFQDSUZDXILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-4-5-8-22(3)17(23)15-10-20-16(11-19-15)21-13-7-6-12(2)14(18)9-13/h6-7,9-11H,4-5,8H2,1-3H3,(H,20,21).
What are the key properties of 5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide?
5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109288276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).