1-benzyl-5-(4-fluoro-2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid

C20H20FNO2 — CID 23146855

IUPAC1-benzyl-5-(4-fluoro-2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCc1cc(F)ccc1C1=C(C(=O)O)CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H20FNO2/c1-14-11-16(21)7-8-17(14)19-13-22(10-9-18(19)20(23)24)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,23,24)
InChIKeyOCIAHKSEAAMVGB-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.88
Rot. Bonds4

About 1-benzyl-5-(4-fluoro-2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid

1-benzyl-5-(4-fluoro-2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 23146855) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-benzyl-5-(4-fluoro-2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-5-(4-fluoro-2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID23146855
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name1-benzyl-5-(4-fluoro-2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCc1cc(F)ccc1C1=C(C(=O)O)CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H20FNO2/c1-14-11-16(21)7-8-17(14)19-13-22(10-9-18(19)20(23)24)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,23,24)
InChIKeyOCIAHKSEAAMVGB-UHFFFAOYSA-N
XLogP3.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-5-(4-fluoro-2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic 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 1-benzyl-5-(4-fluoro-2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 1-benzyl-5-(4-fluoro-2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 23146855) is 1-benzyl-5-(4-fluoro-2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-benzyl-5-(4-fluoro-2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-benzyl-5-(4-fluoro-2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is Cc1cc(F)ccc1C1=C(C(=O)O)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-5-(4-fluoro-2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is OCIAHKSEAAMVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-14-11-16(21)7-8-17(14)19-13-22(10-9-18(19)20(23)24)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,23,24).
What are the key properties of 1-benzyl-5-(4-fluoro-2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
1-benzyl-5-(4-fluoro-2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 325.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4-fluoro-2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 23146855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).