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

C15H14N2O4 — CID 8634442

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCOc1ccccc1C(=O)COC(=O)c1cnc(C)cn1
InChIInChI=1S/C15H14N2O4/c1-10-7-17-12(8-16-10)15(19)21-9-13(18)11-5-3-4-6-14(11)20-2/h3-8H,9H2,1-2H3
InChIKeyMWWMGCYJSRSLLJ-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.83
Rot. Bonds5

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

[2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 8634442) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID8634442
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCOc1ccccc1C(=O)COC(=O)c1cnc(C)cn1
InChIInChI=1S/C15H14N2O4/c1-10-7-17-12(8-16-10)15(19)21-9-13(18)11-5-3-4-6-14(11)20-2/h3-8H,9H2,1-2H3
InChIKeyMWWMGCYJSRSLLJ-UHFFFAOYSA-N
XLogP1.83
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2630390
[2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2391136
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950190
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 18193422
[2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867502
(2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate
CID 18074634
[2-(2-methoxyphenyl)-2-oxoethyl] 4-bromobenzoate
CID 2357062
[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596344
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 8634298
[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950018
(2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate
CID 7950061

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 8634442) is [2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is COc1ccccc1C(=O)COC(=O)c1cnc(C)cn1.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is MWWMGCYJSRSLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10-7-17-12(8-16-10)15(19)21-9-13(18)11-5-3-4-6-14(11)20-2/h3-8H,9H2,1-2H3.
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 286.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 8634442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).