5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide

C17H22N4O — CID 109287893

IUPAC5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(NCCC(C)C)cn1
InChIInChI=1S/C17H22N4O/c1-12(2)8-9-18-16-11-19-15(10-20-16)17(22)21-14-7-5-4-6-13(14)3/h4-7,10-12H,8-9H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyQBYFEGQVTYAJJP-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.50
Rot. Bonds6

About 5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide

5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109287893) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide
PubChem CID109287893
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(NCCC(C)C)cn1
InChIInChI=1S/C17H22N4O/c1-12(2)8-9-18-16-11-19-15(10-20-16)17(22)21-14-7-5-4-6-13(14)3/h4-7,10-12H,8-9H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyQBYFEGQVTYAJJP-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109287909
N-(2-methylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283937
5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67404827
N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
CID 109287912
5-[2-(3-chlorophenyl)ethylamino]-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289155
N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
CID 109287947
5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289526
5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109272632
N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107643075
5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289697
N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280144
methyl 3-[[5-(3-methylbutylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287950

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide (CID 109287893) is 5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide is Cc1ccccc1NC(=O)c1cnc(NCCC(C)C)cn1.
What is the InChIKey of 5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is QBYFEGQVTYAJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)8-9-18-16-11-19-15(10-20-16)17(22)21-14-7-5-4-6-13(14)3/h4-7,10-12H,8-9H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109287893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).