5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide

C16H19BrN4O — CID 109288311

IUPAC5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2ccccc2Br)cn1
InChIInChI=1S/C16H19BrN4O/c1-3-4-9-21(2)16(22)14-10-19-15(11-18-14)20-13-8-6-5-7-12(13)17/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyJPZWNPQMQZKLAP-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.85
Rot. Bonds6

About 5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide

5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide (PubChem CID 109288311) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide
PubChem CID109288311
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2ccccc2Br)cn1
InChIInChI=1S/C16H19BrN4O/c1-3-4-9-21(2)16(22)14-10-19-15(11-18-14)20-13-8-6-5-7-12(13)17/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyJPZWNPQMQZKLAP-UHFFFAOYSA-N
XLogP3.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide
CID 109281131
N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide
CID 109288331
5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288276
N-butyl-N-methyl-5-(2-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 109288305
N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288269
N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288254
N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide
CID 109288114
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109288297
N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide
CID 109288338
N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide
CID 109288332
N-butyl-N-methyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272998
N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288302

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide (CID 109288311) is 5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide is CCCCN(C)C(=O)c1cnc(Nc2ccccc2Br)cn1.
What is the InChIKey of 5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide?
The InChIKey is JPZWNPQMQZKLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-3-4-9-21(2)16(22)14-10-19-15(11-18-14)20-13-8-6-5-7-12(13)17/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,20).
What are the key properties of 5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide?
5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109288311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).