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

C16H16N4O4 — CID 7760422

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1
InChIInChI=1S/C16H16N4O4/c1-10-7-18-14(8-17-10)16(23)24-9-15(22)20-13-5-3-4-12(6-13)19-11(2)21/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCDAGOYJMAKZESS-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.54
Rot. Bonds5

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

[2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 7760422) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID7760422
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1
InChIInChI=1S/C16H16N4O4/c1-10-7-18-14(8-17-10)16(23)24-9-15(22)20-13-5-3-4-12(6-13)19-11(2)21/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCDAGOYJMAKZESS-UHFFFAOYSA-N
XLogP1.54
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2337047
[2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2337979
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 9199802
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950215
[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-(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-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950221
[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-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2354785

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 7760422) is [2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is CC(=O)Nc1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is CDAGOYJMAKZESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-10-7-18-14(8-17-10)16(23)24-9-15(22)20-13-5-3-4-12(6-13)19-11(2)21/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 328.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 7760422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).