[2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C15H15N3O4 — CID 2391136

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1cnc(C)cn1
InChIInChI=1S/C15H15N3O4/c1-10-7-17-12(8-16-10)15(20)22-9-14(19)18-11-5-3-4-6-13(11)21-2/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyBAUAFQVRBMQDMK-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.59
Rot. Bonds5

About [2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2391136) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2391136
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1cnc(C)cn1
InChIInChI=1S/C15H15N3O4/c1-10-7-17-12(8-16-10)15(20)22-9-14(19)18-11-5-3-4-6-13(11)21-2/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyBAUAFQVRBMQDMK-UHFFFAOYSA-N
XLogP1.59
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2355502
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950190
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2630390
[2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 8634442
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
CID 2498004
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 8634261
[2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2338086
[2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7760422
[2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2337979
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate
CID 7760622
(2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate
CID 7950061
[2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 16524473

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2391136) is [2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is COc1ccccc1NC(=O)COC(=O)c1cnc(C)cn1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is BAUAFQVRBMQDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-10-7-17-12(8-16-10)15(20)22-9-14(19)18-11-5-3-4-6-13(11)21-2/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 301.30 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2391136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).