[2-oxo-2-(2-phenylethylamino)ethyl] 5-methylpyrazine-2-carboxylate

C16H17N3O3 — CID 2355564

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)NCCc2ccccc2)cn1
InChIInChI=1S/C16H17N3O3/c1-12-9-19-14(10-18-12)16(21)22-11-15(20)17-8-7-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,17,20)
InChIKeyJIFJSOABZQMKBM-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.30
Rot. Bonds6

About [2-oxo-2-(2-phenylethylamino)ethyl] 5-methylpyrazine-2-carboxylate

[2-oxo-2-(2-phenylethylamino)ethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2355564) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2355564
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)NCCc2ccccc2)cn1
InChIInChI=1S/C16H17N3O3/c1-12-9-19-14(10-18-12)16(21)22-11-15(20)17-8-7-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,17,20)
InChIKeyJIFJSOABZQMKBM-UHFFFAOYSA-N
XLogP1.30
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 5-methylpyrazine-2-carboxylate (CID 2355564) is [2-oxo-2-(2-phenylethylamino)ethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)NCCc2ccccc2)cn1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is JIFJSOABZQMKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-12-9-19-14(10-18-12)16(21)22-11-15(20)17-8-7-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,17,20).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 5-methylpyrazine-2-carboxylate?
[2-oxo-2-(2-phenylethylamino)ethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2355564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).