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

C20H22FNO5 — CID 22004944

IUPACdiethyl 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)OCC)c1-c1ccc(F)cc1
InChIInChI=1S/C20H22FNO5/c1-5-26-19(24)15-14(12-7-9-13(21)10-8-12)16(20(25)27-6-2)18(23)22-17(15)11(3)4/h7-11H,5-6H2,1-4H3,(H,22,23)
InChIKeyNWDGELNRGHJZBT-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.66
Rot. Bonds6

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

diethyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate (PubChem CID 22004944) has the molecular formula C20H22FNO5 and a molecular weight of 375.40 g/mol. Its IUPAC name is diethyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate
PubChem CID22004944
Molecular FormulaC20H22FNO5
Molecular Weight375.40 g/mol
Exact Mass375.15
IUPAC Namediethyl 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)OCC)c1-c1ccc(F)cc1
InChIInChI=1S/C20H22FNO5/c1-5-26-19(24)15-14(12-7-9-13(21)10-8-12)16(20(25)27-6-2)18(23)22-17(15)11(3)4/h7-11H,5-6H2,1-4H3,(H,22,23)
InChIKeyNWDGELNRGHJZBT-UHFFFAOYSA-N
XLogP3.66
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate (CID 22004944) is diethyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 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)OCC)c1-c1ccc(F)cc1.
What is the InChIKey of diethyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate?
The InChIKey is NWDGELNRGHJZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO5/c1-5-26-19(24)15-14(12-7-9-13(21)10-8-12)16(20(25)27-6-2)18(23)22-17(15)11(3)4/h7-11H,5-6H2,1-4H3,(H,22,23).
What are the key properties of diethyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate?
diethyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate has a molecular weight of 375.40 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 22004944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).