[2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C16H15N3O4 — CID 2337047

IUPAC[2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1
InChIInChI=1S/C16H15N3O4/c1-10-7-18-14(8-17-10)16(22)23-9-15(21)19-13-5-3-4-12(6-13)11(2)20/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyQOYYTPYZWSCYJY-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.78
Rot. Bonds5

About [2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2337047) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2337047
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1
InChIInChI=1S/C16H15N3O4/c1-10-7-18-14(8-17-10)16(22)23-9-15(21)19-13-5-3-4-12(6-13)11(2)20/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyQOYYTPYZWSCYJY-UHFFFAOYSA-N
XLogP1.78
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7760422
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 9199802
[2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2337979
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950215
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2338086
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate
CID 7760622
(2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate
CID 7950061
[2-(4-cyanoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2356445
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
CID 2498004
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2498078

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2337047) is [2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is CC(=O)c1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is QOYYTPYZWSCYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10-7-18-14(8-17-10)16(22)23-9-15(21)19-13-5-3-4-12(6-13)11(2)20/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2337047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).