[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C16H16N4O4 — CID 9199802

IUPAC[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCNC(=O)c1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1
InChIInChI=1S/C16H16N4O4/c1-10-7-19-13(8-18-10)16(23)24-9-14(21)20-12-5-3-4-11(6-12)15(22)17-2/h3-8H,9H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyCOQCBVFLDWVQSN-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.94
Rot. Bonds5

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

[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 9199802) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID9199802
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCNC(=O)c1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1
InChIInChI=1S/C16H16N4O4/c1-10-7-19-13(8-18-10)16(23)24-9-14(21)20-12-5-3-4-11(6-12)15(22)17-2/h3-8H,9H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyCOQCBVFLDWVQSN-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
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-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7760422
[2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2337979
(2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate
CID 7950061
[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-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate
CID 17396359
[2-(4-cyanoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2356445
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 35051099
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate
CID 18102829
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate
CID 18141034
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate
CID 7760622

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 9199802) is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is CNC(=O)c1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1.
What is the InChIKey of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is COQCBVFLDWVQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-10-7-19-13(8-18-10)16(23)24-9-14(21)20-12-5-3-4-11(6-12)15(22)17-2/h3-8H,9H2,1-2H3,(H,17,22)(H,20,21).
What are the key properties of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 328.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 9199802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).