5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide

C18H24N4O — CID 109288366

IUPAC5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
SMILESCCCCN(C)c1cnc(C(=O)Nc2ccc(CC)cc2)cn1
InChIInChI=1S/C18H24N4O/c1-4-6-11-22(3)17-13-19-16(12-20-17)18(23)21-15-9-7-14(5-2)8-10-15/h7-10,12-13H,4-6,11H2,1-3H3,(H,21,23)
InChIKeyREASPKKOBXFVBG-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.53
Rot. Bonds7

About 5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide

5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide (PubChem CID 109288366) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
PubChem CID109288366
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
SMILESCCCCN(C)c1cnc(C(=O)Nc2ccc(CC)cc2)cn1
InChIInChI=1S/C18H24N4O/c1-4-6-11-22(3)17-13-19-16(12-20-17)18(23)21-15-9-7-14(5-2)8-10-15/h7-10,12-13H,4-6,11H2,1-3H3,(H,21,23)
InChIKeyREASPKKOBXFVBG-UHFFFAOYSA-N
XLogP3.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109288370
5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 109288431
5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
CID 109288374
5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109277983
5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282959
5-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684737
N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803190
2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109312235
5-[butyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109196048
6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112846981
4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048817
N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285110

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide (CID 109288366) is 5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide is CCCCN(C)c1cnc(C(=O)Nc2ccc(CC)cc2)cn1.
What is the InChIKey of 5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide?
The InChIKey is REASPKKOBXFVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-6-11-22(3)17-13-19-16(12-20-17)18(23)21-15-9-7-14(5-2)8-10-15/h7-10,12-13H,4-6,11H2,1-3H3,(H,21,23).
What are the key properties of 5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide?
5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.53, 7 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-(4-ethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109288366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).