[2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C18H21N3O3 — CID 2338086

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)c1cnc(C)cn1
InChIInChI=1S/C18H21N3O3/c1-4-13-7-6-8-14(5-2)17(13)21-16(22)11-24-18(23)15-10-19-12(3)9-20-15/h6-10H,4-5,11H2,1-3H3,(H,21,22)
InChIKeySCTMHLMAIVOAJD-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.71
Rot. Bonds6

About [2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2338086) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2338086
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)c1cnc(C)cn1
InChIInChI=1S/C18H21N3O3/c1-4-13-7-6-8-14(5-2)17(13)21-16(22)11-24-18(23)15-10-19-12(3)9-20-15/h6-10H,4-5,11H2,1-3H3,(H,21,22)
InChIKeySCTMHLMAIVOAJD-UHFFFAOYSA-N
XLogP2.71
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-diethylphenyl)-5-methylpyrazine-2-carboxamide
CID 17441034
[2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7760422
[2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2337979
[2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2337047
[2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2391136
[2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 16524473
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 9199802
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950221
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950190
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate
CID 7760622
N-(2-ethyl-6-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 8761786
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950215

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2338086) is [2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is CCc1cccc(CC)c1NC(=O)COC(=O)c1cnc(C)cn1.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is SCTMHLMAIVOAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-4-13-7-6-8-14(5-2)17(13)21-16(22)11-24-18(23)15-10-19-12(3)9-20-15/h6-10H,4-5,11H2,1-3H3,(H,21,22).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2338086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).