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

C16H19BrN4O2 — CID 109276172

IUPAC5-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide
SMILESCOCCCNC(=O)c1cnc(Nc2ccc(C)cc2Br)cn1
InChIInChI=1S/C16H19BrN4O2/c1-11-4-5-13(12(17)8-11)21-15-10-19-14(9-20-15)16(22)18-6-3-7-23-2/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyPJSIPSPJVSKNJB-UHFFFAOYSA-N
MW379.26 g/mol
LogP3.06
Rot. Bonds7

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

5-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide (PubChem CID 109276172) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is 5-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide
PubChem CID109276172
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC Name5-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide
SMILESCOCCCNC(=O)c1cnc(Nc2ccc(C)cc2Br)cn1
InChIInChI=1S/C16H19BrN4O2/c1-11-4-5-13(12(17)8-11)21-15-10-19-14(9-20-15)16(22)18-6-3-7-23-2/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyPJSIPSPJVSKNJB-UHFFFAOYSA-N
XLogP3.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-bromo-4-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272501
4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206175
5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276134
6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153082
methyl 4-chloro-3-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109276157
N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276285
2-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299940
N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289795
5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide
CID 109179204
6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846884
5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284865
N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276316

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide (CID 109276172) is 5-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide is COCCCNC(=O)c1cnc(Nc2ccc(C)cc2Br)cn1.
What is the InChIKey of 5-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The InChIKey is PJSIPSPJVSKNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c1-11-4-5-13(12(17)8-11)21-15-10-19-14(9-20-15)16(22)18-6-3-7-23-2/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 5-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide?
5-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide has a molecular weight of 379.26 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109276172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).