5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide

C15H17BrN4O2 — CID 109276134

IUPAC5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide
SMILESCOCCCNC(=O)c1cnc(Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C15H17BrN4O2/c1-22-8-2-7-17-15(21)13-9-19-14(10-18-13)20-12-5-3-11(16)4-6-12/h3-6,9-10H,2,7-8H2,1H3,(H,17,21)(H,19,20)
InChIKeySIFACZQNUPRCHS-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.75
Rot. Bonds7

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

5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide (PubChem CID 109276134) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide
PubChem CID109276134
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide
SMILESCOCCCNC(=O)c1cnc(Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C15H17BrN4O2/c1-22-8-2-7-17-15(21)13-9-19-14(10-18-13)20-12-5-3-11(16)4-6-12/h3-6,9-10H,2,7-8H2,1H3,(H,17,21)(H,19,20)
InChIKeySIFACZQNUPRCHS-UHFFFAOYSA-N
XLogP2.75
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.75
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-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184307
5-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276172
N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109277841
5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272071
ethyl 4-[[5-(2-methoxyethylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109275812
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284888
5-(4-bromo-3-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272503
5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184344
methyl 4-chloro-3-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109276157
methyl 4-[[5-(3-methylbutylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109287835
N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109343362

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide (CID 109276134) is 5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide is COCCCNC(=O)c1cnc(Nc2ccc(Br)cc2)cn1.
What is the InChIKey of 5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The InChIKey is SIFACZQNUPRCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c1-22-8-2-7-17-15(21)13-9-19-14(10-18-13)20-12-5-3-11(16)4-6-12/h3-6,9-10H,2,7-8H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide?
5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109276134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).