5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide

C18H24N4O — CID 109272639

IUPAC5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(=O)Nc2c(C)cc(C)cc2C)cn1
InChIInChI=1S/C18H24N4O/c1-5-6-7-19-16-11-20-15(10-21-16)18(23)22-17-13(3)8-12(2)9-14(17)4/h8-11H,5-7H2,1-4H3,(H,19,21)(H,22,23)
InChIKeyIJYFQULGRHIHSV-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.87
Rot. Bonds6

About 5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide

5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109272639) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
PubChem CID109272639
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(=O)Nc2c(C)cc(C)cc2C)cn1
InChIInChI=1S/C18H24N4O/c1-5-6-7-19-16-11-20-15(10-21-16)18(23)22-17-13(3)8-12(2)9-14(17)4/h8-11H,5-7H2,1-4H3,(H,19,21)(H,22,23)
InChIKeyIJYFQULGRHIHSV-UHFFFAOYSA-N
XLogP3.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.87
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-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109276297
5-(butylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109272630
5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109273026
5-(prop-2-enylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109272249
5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109272632
N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109288125
N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide
CID 109272675
5-(furan-2-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109279550
5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109272633
2-(pentylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109263774
N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276285
5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272533

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide (CID 109272639) is 5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide is CCCCNc1cnc(C(=O)Nc2c(C)cc(C)cc2C)cn1.
What is the InChIKey of 5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is IJYFQULGRHIHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-6-7-19-16-11-20-15(10-21-16)18(23)22-17-13(3)8-12(2)9-14(17)4/h8-11H,5-7H2,1-4H3,(H,19,21)(H,22,23).
What are the key properties of 5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide?
5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109272639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).