[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C17H19N3O4 — CID 2336561

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCOc1ccc(CCNC(=O)COC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C17H19N3O4/c1-12-9-20-15(10-19-12)17(22)24-11-16(21)18-8-7-13-3-5-14(23-2)6-4-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,21)
InChIKeyKOJCAEZNGYCQTO-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.31
Rot. Bonds7

About [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2336561) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2336561
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCOc1ccc(CCNC(=O)COC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C17H19N3O4/c1-12-9-20-15(10-19-12)17(22)24-11-16(21)18-8-7-13-3-5-14(23-2)6-4-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,21)
InChIKeyKOJCAEZNGYCQTO-UHFFFAOYSA-N
XLogP1.31
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2336561) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is COc1ccc(CCNC(=O)COC(=O)c2cnc(C)cn2)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is KOJCAEZNGYCQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-12-9-20-15(10-19-12)17(22)24-11-16(21)18-8-7-13-3-5-14(23-2)6-4-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,21).
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2336561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).