5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate

C24H24BrNO5 — CID 71723433

IUPAC5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(C(=O)OC)=CC1c1ccc(OC)cc1
InChIInChI=1S/C24H24BrNO5/c1-5-31-24(28)22-15(2)26(18-10-8-17(25)9-11-18)21(23(27)30-4)14-20(22)16-6-12-19(29-3)13-7-16/h6-14,20H,5H2,1-4H3
InChIKeyQACINSPUGXXKKW-UHFFFAOYSA-N
MW486.36 g/mol
LogP4.96
Rot. Bonds6

About 5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate

5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate (PubChem CID 71723433) has the molecular formula C24H24BrNO5 and a molecular weight of 486.36 g/mol. Its IUPAC name is 5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate.

Molecular Properties

Compound Name5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate
PubChem CID71723433
Molecular FormulaC24H24BrNO5
Molecular Weight486.36 g/mol
Exact Mass485.08
IUPAC Name5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(C(=O)OC)=CC1c1ccc(OC)cc1
InChIInChI=1S/C24H24BrNO5/c1-5-31-24(28)22-15(2)26(18-10-8-17(25)9-11-18)21(23(27)30-4)14-20(22)16-6-12-19(29-3)13-7-16/h6-14,20H,5H2,1-4H3
InChIKeyQACINSPUGXXKKW-UHFFFAOYSA-N
XLogP4.96
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate?
The IUPAC name of 5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate (CID 71723433) is 5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate.
What is the SMILES notation for 5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate?
The canonical SMILES for 5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate is CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(C(=O)OC)=CC1c1ccc(OC)cc1.
What is the InChIKey of 5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate?
The InChIKey is QACINSPUGXXKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO5/c1-5-31-24(28)22-15(2)26(18-10-8-17(25)9-11-18)21(23(27)30-4)14-20(22)16-6-12-19(29-3)13-7-16/h6-14,20H,5H2,1-4H3.
What are the key properties of 5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate?
5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate has a molecular weight of 486.36 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate is sourced from PubChem (CID 71723433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).