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

C20H24FNO4 — CID 21422160

IUPAC2,6-diethyl-4-(3-fluorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylic acid
SMILESCCC1=C(C(=O)O)C(c2cccc(F)c2)C(C(=O)O)=C(CC)N1C(C)C
InChIInChI=1S/C20H24FNO4/c1-5-14-17(19(23)24)16(12-8-7-9-13(21)10-12)18(20(25)26)15(6-2)22(14)11(3)4/h7-11,16H,5-6H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyHHUILPQTJIQTDS-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.13
Rot. Bonds6

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

2,6-diethyl-4-(3-fluorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylic acid (PubChem CID 21422160) has the molecular formula C20H24FNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2,6-diethyl-4-(3-fluorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2,6-diethyl-4-(3-fluorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylic acid
PubChem CID21422160
Molecular FormulaC20H24FNO4
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name2,6-diethyl-4-(3-fluorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylic acid
SMILESCCC1=C(C(=O)O)C(c2cccc(F)c2)C(C(=O)O)=C(CC)N1C(C)C
InChIInChI=1S/C20H24FNO4/c1-5-14-17(19(23)24)16(12-8-7-9-13(21)10-12)18(20(25)26)15(6-2)22(14)11(3)4/h7-11,16H,5-6H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyHHUILPQTJIQTDS-UHFFFAOYSA-N
XLogP4.13
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4-(3-fluorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2,6-diethyl-4-(3-fluorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylic acid (CID 21422160) is 2,6-diethyl-4-(3-fluorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2,6-diethyl-4-(3-fluorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2,6-diethyl-4-(3-fluorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylic acid is CCC1=C(C(=O)O)C(c2cccc(F)c2)C(C(=O)O)=C(CC)N1C(C)C.
What is the InChIKey of 2,6-diethyl-4-(3-fluorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylic acid?
The InChIKey is HHUILPQTJIQTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4/c1-5-14-17(19(23)24)16(12-8-7-9-13(21)10-12)18(20(25)26)15(6-2)22(14)11(3)4/h7-11,16H,5-6H2,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 2,6-diethyl-4-(3-fluorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylic acid?
2,6-diethyl-4-(3-fluorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylic acid has a molecular weight of 361.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4-(3-fluorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 21422160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).