5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide

C17H22N4O — CID 109272632

IUPAC5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(=O)Nc2cccc(C)c2C)cn1
InChIInChI=1S/C17H22N4O/c1-4-5-9-18-16-11-19-15(10-20-16)17(22)21-14-8-6-7-12(2)13(14)3/h6-8,10-11H,4-5,9H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyHKHWURDAZMMFIH-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.56
Rot. Bonds6

About 5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide

5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109272632) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID109272632
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(=O)Nc2cccc(C)c2C)cn1
InChIInChI=1S/C17H22N4O/c1-4-5-9-18-16-11-19-15(10-20-16)17(22)21-14-8-6-7-12(2)13(14)3/h6-8,10-11H,4-5,9H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyHKHWURDAZMMFIH-UHFFFAOYSA-N
XLogP3.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109272633
N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284532
methyl 2-[[5-(butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109272677
N-(2,3-dimethylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281720
N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280416
5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide
CID 109288020
N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide
CID 109272675
N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846721
5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109272639
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291406
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290118

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide (CID 109272632) is 5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide is CCCCNc1cnc(C(=O)Nc2cccc(C)c2C)cn1.
What is the InChIKey of 5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is HKHWURDAZMMFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-5-9-18-16-11-19-15(10-20-16)17(22)21-14-8-6-7-12(2)13(14)3/h6-8,10-11H,4-5,9H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109272632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).