(2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate

C15H13N3O4 — CID 7950061

IUPAC(2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)NC(=O)c2ccccc2)cn1
InChIInChI=1S/C15H13N3O4/c1-10-7-17-12(8-16-10)15(21)22-9-13(19)18-14(20)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyCJQCQGNZAKYOLZ-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.90
Rot. Bonds4

About (2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate

(2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate (PubChem CID 7950061) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate
PubChem CID7950061
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name(2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)NC(=O)c2ccccc2)cn1
InChIInChI=1S/C15H13N3O4/c1-10-7-17-12(8-16-10)15(21)22-9-13(19)18-14(20)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyCJQCQGNZAKYOLZ-UHFFFAOYSA-N
XLogP0.90
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2630390
[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 8850680
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 9199802
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2645874
[2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 16524473
[2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2337047
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate
CID 7760622
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 5-methylpyrazine-2-carboxylate
CID 30583280
[2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2338086
[2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2391136
[4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 8634406
(2-benzamido-2-oxoethyl) pyridine-3-carboxylate
CID 9413804

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate?
The IUPAC name of (2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate (CID 7950061) is (2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)NC(=O)c2ccccc2)cn1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate?
The InChIKey is CJQCQGNZAKYOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-10-7-17-12(8-16-10)15(21)22-9-13(19)18-14(20)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19,20).
What are the key properties of (2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate?
(2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate has a molecular weight of 299.29 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 7950061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).