[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C16H16N2O5 — CID 2637980

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2cnc(C)cn2)c(OC)c1
InChIInChI=1S/C16H16N2O5/c1-10-7-18-13(8-17-10)16(20)23-9-14(19)12-5-4-11(21-2)6-15(12)22-3/h4-8H,9H2,1-3H3
InChIKeyZCKXMIUOHBIPBZ-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.84
Rot. Bonds6

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

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2637980) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2637980
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2cnc(C)cn2)c(OC)c1
InChIInChI=1S/C16H16N2O5/c1-10-7-18-13(8-17-10)16(20)23-9-14(19)12-5-4-11(21-2)6-15(12)22-3/h4-8H,9H2,1-3H3
InChIKeyZCKXMIUOHBIPBZ-UHFFFAOYSA-N
XLogP1.84
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2637980) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is COc1ccc(C(=O)COC(=O)c2cnc(C)cn2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is ZCKXMIUOHBIPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-10-7-18-13(8-17-10)16(20)23-9-14(19)12-5-4-11(21-2)6-15(12)22-3/h4-8H,9H2,1-3H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 316.31 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2637980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).