5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide

C20H28N4O — CID 109288374

IUPAC5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
SMILESCCCCN(C)c1cnc(C(=O)Nc2ccccc2C(C)(C)C)cn1
InChIInChI=1S/C20H28N4O/c1-6-7-12-24(5)18-14-21-17(13-22-18)19(25)23-16-11-9-8-10-15(16)20(2,3)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,23,25)
InChIKeyQPOXHMPAURYKBP-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.26
Rot. Bonds6

About 5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide

5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide (PubChem CID 109288374) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
PubChem CID109288374
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
SMILESCCCCN(C)c1cnc(C(=O)Nc2ccccc2C(C)(C)C)cn1
InChIInChI=1S/C20H28N4O/c1-6-7-12-24(5)18-14-21-17(13-22-18)19(25)23-16-11-9-8-10-15(16)20(2,3)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,23,25)
InChIKeyQPOXHMPAURYKBP-UHFFFAOYSA-N
XLogP4.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide
CID 109291780
5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
CID 109282875
5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282959
5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109288366
5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109288370
N-(2-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185554
5-[butyl(methyl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109196077
2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide
CID 109094300
5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 109288431
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide
CID 109292240
6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 112846922
N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281939

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide (CID 109288374) is 5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide is CCCCN(C)c1cnc(C(=O)Nc2ccccc2C(C)(C)C)cn1.
What is the InChIKey of 5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide?
The InChIKey is QPOXHMPAURYKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-6-7-12-24(5)18-14-21-17(13-22-18)19(25)23-16-11-9-8-10-15(16)20(2,3)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,23,25).
What are the key properties of 5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide?
5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109288374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).