5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide

C17H22N4O — CID 109272633

IUPAC5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(=O)Nc2ccccc2CC)cn1
InChIInChI=1S/C17H22N4O/c1-3-5-10-18-16-12-19-15(11-20-16)17(22)21-14-9-7-6-8-13(14)4-2/h6-9,11-12H,3-5,10H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyZGQPASJMIMXNGB-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.50
Rot. Bonds7

About 5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide

5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide (PubChem CID 109272633) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
PubChem CID109272633
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(=O)Nc2ccccc2CC)cn1
InChIInChI=1S/C17H22N4O/c1-3-5-10-18-16-12-19-15(11-20-16)17(22)21-14-9-7-6-8-13(14)4-2/h6-9,11-12H,3-5,10H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyZGQPASJMIMXNGB-UHFFFAOYSA-N
XLogP3.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.50
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

methyl 2-[[5-(butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109272677
5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109272632
6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109151611
N-(2-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283695
N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107643075
N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide
CID 109272675
5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291406
N-(2-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271145
5-(4-bromoanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291484
5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291158
5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109288225
N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277995

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide (CID 109272633) is 5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide is CCCCNc1cnc(C(=O)Nc2ccccc2CC)cn1.
What is the InChIKey of 5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide?
The InChIKey is ZGQPASJMIMXNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-5-10-18-16-12-19-15(11-20-16)17(22)21-14-9-7-6-8-13(14)4-2/h6-9,11-12H,3-5,10H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide?
5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109272633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).