[2-(4-ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C16H16N2O3 — CID 2430350

IUPAC[2-(4-ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCc1ccc(C(=O)COC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C16H16N2O3/c1-3-12-4-6-13(7-5-12)15(19)10-21-16(20)14-9-17-11(2)8-18-14/h4-9H,3,10H2,1-2H3
InChIKeyJYLCHXFATNNNQT-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.39
Rot. Bonds5

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

[2-(4-ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2430350) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2430350
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name[2-(4-ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCc1ccc(C(=O)COC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C16H16N2O3/c1-3-12-4-6-13(7-5-12)15(19)10-21-16(20)14-9-17-11(2)8-18-14/h4-9H,3,10H2,1-2H3
InChIKeyJYLCHXFATNNNQT-UHFFFAOYSA-N
XLogP2.39
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2430350) is [2-(4-ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(4-ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(4-ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is CCc1ccc(C(=O)COC(=O)c2cnc(C)cn2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is JYLCHXFATNNNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-12-4-6-13(7-5-12)15(19)10-21-16(20)14-9-17-11(2)8-18-14/h4-9H,3,10H2,1-2H3.
What are the key properties of [2-(4-ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(4-ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2430350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).