methyl 5,6-bis(4-methoxyphenyl)pyrazine-2-carboxylate

C20H18N2O4 — CID 23276691

IUPACmethyl 5,6-bis(4-methoxyphenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1
InChIInChI=1S/C20H18N2O4/c1-24-15-8-4-13(5-9-15)18-19(14-6-10-16(25-2)11-7-14)22-17(12-21-18)20(23)26-3/h4-12H,1-3H3
InChIKeyYZGKJQHBCZQDFN-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.61
Rot. Bonds5

About methyl 5,6-bis(4-methoxyphenyl)pyrazine-2-carboxylate

methyl 5,6-bis(4-methoxyphenyl)pyrazine-2-carboxylate (PubChem CID 23276691) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 5,6-bis(4-methoxyphenyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-bis(4-methoxyphenyl)pyrazine-2-carboxylate
PubChem CID23276691
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namemethyl 5,6-bis(4-methoxyphenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1
InChIInChI=1S/C20H18N2O4/c1-24-15-8-4-13(5-9-15)18-19(14-6-10-16(25-2)11-7-14)22-17(12-21-18)20(23)26-3/h4-12H,1-3H3
InChIKeyYZGKJQHBCZQDFN-UHFFFAOYSA-N
XLogP3.61
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5,6-bis(4-methoxyphenyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 5,6-bis(4-methoxyphenyl)pyrazine-2-carboxylate (CID 23276691) is methyl 5,6-bis(4-methoxyphenyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5,6-bis(4-methoxyphenyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5,6-bis(4-methoxyphenyl)pyrazine-2-carboxylate is COC(=O)c1cnc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1.
What is the InChIKey of methyl 5,6-bis(4-methoxyphenyl)pyrazine-2-carboxylate?
The InChIKey is YZGKJQHBCZQDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-24-15-8-4-13(5-9-15)18-19(14-6-10-16(25-2)11-7-14)22-17(12-21-18)20(23)26-3/h4-12H,1-3H3.
What are the key properties of methyl 5,6-bis(4-methoxyphenyl)pyrazine-2-carboxylate?
methyl 5,6-bis(4-methoxyphenyl)pyrazine-2-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-bis(4-methoxyphenyl)pyrazine-2-carboxylate is sourced from PubChem (CID 23276691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).