[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate

C17H19N3O6 — CID 2498004

IUPAC[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
SMILESCOc1cc(NC(=O)COC(=O)c2cnc(C)cn2)cc(OC)c1OC
InChIInChI=1S/C17H19N3O6/c1-10-7-19-12(8-18-10)17(22)26-9-15(21)20-11-5-13(23-2)16(25-4)14(6-11)24-3/h5-8H,9H2,1-4H3,(H,20,21)
InChIKeyRXLKBQKHKJMPQV-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.61
Rot. Bonds7

About [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate

[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2498004) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2498004
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC Name[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
SMILESCOc1cc(NC(=O)COC(=O)c2cnc(C)cn2)cc(OC)c1OC
InChIInChI=1S/C17H19N3O6/c1-10-7-19-12(8-18-10)17(22)26-9-15(21)20-11-5-13(23-2)16(25-4)14(6-11)24-3/h5-8H,9H2,1-4H3,(H,20,21)
InChIKeyRXLKBQKHKJMPQV-UHFFFAOYSA-N
XLogP1.61
TPSA108.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2391136
[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-oxo-2-(3,4,5-trimethoxyanilino)ethyl] acetate
CID 1252029
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950190
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950215
[2-(4-cyanoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2356445
[2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 16524473
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-bromopyridine-3-carboxylate
CID 2605916
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519534
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 9199802

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate (CID 2498004) is [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate is COc1cc(NC(=O)COC(=O)c2cnc(C)cn2)cc(OC)c1OC.
What is the InChIKey of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is RXLKBQKHKJMPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6/c1-10-7-19-12(8-18-10)17(22)26-9-15(21)20-11-5-13(23-2)16(25-4)14(6-11)24-3/h5-8H,9H2,1-4H3,(H,20,21).
What are the key properties of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate?
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 361.35 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2498004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).