[2-oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate

C20H17N3O4 — CID 2355446

IUPAC[2-oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cn1
InChIInChI=1S/C20H17N3O4/c1-14-11-22-18(12-21-14)20(25)26-13-19(24)23-15-7-9-17(10-8-15)27-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,23,24)
InChIKeyVPTXBPQULUNKHV-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.37
Rot. Bonds6

About [2-oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate

[2-oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2355446) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is [2-oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2355446
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name[2-oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cn1
InChIInChI=1S/C20H17N3O4/c1-14-11-22-18(12-21-14)20(25)26-13-19(24)23-15-7-9-17(10-8-15)27-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,23,24)
InChIKeyVPTXBPQULUNKHV-UHFFFAOYSA-N
XLogP3.37
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate (CID 2355446) is [2-oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cn1.
What is the InChIKey of [2-oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is VPTXBPQULUNKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-14-11-22-18(12-21-14)20(25)26-13-19(24)23-15-7-9-17(10-8-15)27-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of [2-oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate?
[2-oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 363.37 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2355446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).