[2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate

C14H13N3O4 — CID 2355502

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1cnccn1
InChIInChI=1S/C14H13N3O4/c1-20-12-5-3-2-4-10(12)17-13(18)9-21-14(19)11-8-15-6-7-16-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyLVYQIZNEXLWVPG-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.28
Rot. Bonds5

About [2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate

[2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 2355502) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID2355502
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1cnccn1
InChIInChI=1S/C14H13N3O4/c1-20-12-5-3-2-4-10(12)17-13(18)9-21-14(19)11-8-15-6-7-16-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyLVYQIZNEXLWVPG-UHFFFAOYSA-N
XLogP1.28
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2391136
2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid
CID 23972998
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196552
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196541
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2715388
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7702201
2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 95922351
[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7554634
[2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2119071
[2-oxo-2-(2-phenoxyanilino)ethyl] 4-bromo-3,5-dimethoxybenzoate
CID 27988252
[2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7702375
[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2356149

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate (CID 2355502) is [2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate is COc1ccccc1NC(=O)COC(=O)c1cnccn1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is LVYQIZNEXLWVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-20-12-5-3-2-4-10(12)17-13(18)9-21-14(19)11-8-15-6-7-16-11/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 287.27 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 2355502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).