3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid

C19H24FNO4 — CID 56992940

IUPAC3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid
SMILESCCC1(C(=O)O)C(C(C)C)N=C(C)C(C(=O)O)C1c1ccc(F)cc1
InChIInChI=1S/C19H24FNO4/c1-5-19(18(24)25)15(12-6-8-13(20)9-7-12)14(17(22)23)11(4)21-16(19)10(2)3/h6-10,14-16H,5H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyREHWFOGPSCEMKW-UHFFFAOYSA-N
MW349.40 g/mol
LogP3.59
Rot. Bonds5

About 3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid

3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid (PubChem CID 56992940) has the molecular formula C19H24FNO4 and a molecular weight of 349.40 g/mol. Its IUPAC name is 3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid
PubChem CID56992940
Molecular FormulaC19H24FNO4
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid
SMILESCCC1(C(=O)O)C(C(C)C)N=C(C)C(C(=O)O)C1c1ccc(F)cc1
InChIInChI=1S/C19H24FNO4/c1-5-19(18(24)25)15(12-6-8-13(20)9-7-12)14(17(22)23)11(4)21-16(19)10(2)3/h6-10,14-16H,5H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyREHWFOGPSCEMKW-UHFFFAOYSA-N
XLogP3.59
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid (CID 56992940) is 3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid is CCC1(C(=O)O)C(C(C)C)N=C(C)C(C(=O)O)C1c1ccc(F)cc1.
What is the InChIKey of 3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid?
The InChIKey is REHWFOGPSCEMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO4/c1-5-19(18(24)25)15(12-6-8-13(20)9-7-12)14(17(22)23)11(4)21-16(19)10(2)3/h6-10,14-16H,5H2,1-4H3,(H,22,23)(H,24,25).
What are the key properties of 3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid?
3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid has a molecular weight of 349.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 56992940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).