[2-[benzyl(ethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C17H19N3O3 — CID 2344671

IUPAC[2-[benzyl(ethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1cnc(C)cn1
InChIInChI=1S/C17H19N3O3/c1-3-20(11-14-7-5-4-6-8-14)16(21)12-23-17(22)15-10-18-13(2)9-19-15/h4-10H,3,11-12H2,1-2H3
InChIKeyGWCLQUQVIJQHKM-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.99
Rot. Bonds6

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

[2-[benzyl(ethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2344671) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2344671
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1cnc(C)cn1
InChIInChI=1S/C17H19N3O3/c1-3-20(11-14-7-5-4-6-8-14)16(21)12-23-17(22)15-10-18-13(2)9-19-15/h4-10H,3,11-12H2,1-2H3
InChIKeyGWCLQUQVIJQHKM-UHFFFAOYSA-N
XLogP1.99
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2344671) is [2-[benzyl(ethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-[benzyl(ethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is CCN(Cc1ccccc1)C(=O)COC(=O)c1cnc(C)cn1.
What is the InChIKey of [2-[benzyl(ethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is GWCLQUQVIJQHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-20(11-14-7-5-4-6-8-14)16(21)12-23-17(22)15-10-18-13(2)9-19-15/h4-10H,3,11-12H2,1-2H3.
What are the key properties of [2-[benzyl(ethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-[benzyl(ethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2344671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).