[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C16H15N3O5 — CID 2630390

IUPAC[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)c1cnc(C)cn1
InChIInChI=1S/C16H15N3O5/c1-10-7-18-12(8-17-10)16(22)24-9-14(20)19-15(21)11-5-3-4-6-13(11)23-2/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyFMGRBLNIFJTYSF-UHFFFAOYSA-N
MW329.31 g/mol
LogP0.91
Rot. Bonds5

About [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2630390) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2630390
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)c1cnc(C)cn1
InChIInChI=1S/C16H15N3O5/c1-10-7-18-12(8-17-10)16(22)24-9-14(20)19-15(21)11-5-3-4-6-13(11)23-2/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyFMGRBLNIFJTYSF-UHFFFAOYSA-N
XLogP0.91
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 8634442
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776378
(2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate
CID 7950061
[2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2391136
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950190
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2624849
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 2635522
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515349
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561837
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 9407996
[2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 16524473
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 39415072

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2630390) is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is COc1ccccc1C(=O)NC(=O)COC(=O)c1cnc(C)cn1.
What is the InChIKey of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is FMGRBLNIFJTYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-10-7-18-12(8-17-10)16(22)24-9-14(20)19-15(21)11-5-3-4-6-13(11)23-2/h3-8H,9H2,1-2H3,(H,19,20,21).
What are the key properties of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 329.31 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2630390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).