5-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate

C19H20FNO5 — CID 14726079

IUPAC5-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C(C)C)[nH]c(=O)c(C(=O)OC)c1-c1ccc(F)cc1
InChIInChI=1S/C19H20FNO5/c1-5-26-19(24)14-13(11-6-8-12(20)9-7-11)15(18(23)25-4)17(22)21-16(14)10(2)3/h6-10H,5H2,1-4H3,(H,21,22)
InChIKeyIMZMYACKSGUNGT-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.27
Rot. Bonds5

About 5-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate

5-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate (PubChem CID 14726079) has the molecular formula C19H20FNO5 and a molecular weight of 361.37 g/mol. Its IUPAC name is 5-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Name5-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate
PubChem CID14726079
Molecular FormulaC19H20FNO5
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name5-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C(C)C)[nH]c(=O)c(C(=O)OC)c1-c1ccc(F)cc1
InChIInChI=1S/C19H20FNO5/c1-5-26-19(24)14-13(11-6-8-12(20)9-7-11)15(18(23)25-4)17(22)21-16(14)10(2)3/h6-10H,5H2,1-4H3,(H,21,22)
InChIKeyIMZMYACKSGUNGT-UHFFFAOYSA-N
XLogP3.27
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate?
The IUPAC name of 5-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate (CID 14726079) is 5-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for 5-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate?
The canonical SMILES for 5-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate is CCOC(=O)c1c(C(C)C)[nH]c(=O)c(C(=O)OC)c1-c1ccc(F)cc1.
What is the InChIKey of 5-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate?
The InChIKey is IMZMYACKSGUNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5/c1-5-26-19(24)14-13(11-6-8-12(20)9-7-11)15(18(23)25-4)17(22)21-16(14)10(2)3/h6-10H,5H2,1-4H3,(H,21,22).
What are the key properties of 5-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate?
5-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate has a molecular weight of 361.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 14726079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).