4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid

C14H15NO4 — CID 141365416

IUPAC4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
SMILESCc1ccc(C2=C(C(=O)O)CN(C(=O)O)CC2)cc1
InChIInChI=1S/C14H15NO4/c1-9-2-4-10(5-3-9)11-6-7-15(14(18)19)8-12(11)13(16)17/h2-5H,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyLXYOABDVLKXXTL-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.22
Rot. Bonds2

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

4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid (PubChem CID 141365416) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid.

Molecular Properties

Compound Name4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
PubChem CID141365416
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
SMILESCc1ccc(C2=C(C(=O)O)CN(C(=O)O)CC2)cc1
InChIInChI=1S/C14H15NO4/c1-9-2-4-10(5-3-9)11-6-7-15(14(18)19)8-12(11)13(16)17/h2-5H,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyLXYOABDVLKXXTL-UHFFFAOYSA-N
XLogP2.22
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-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 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid?
The IUPAC name of 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid (CID 141365416) is 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid.
What is the SMILES notation for 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid?
The canonical SMILES for 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid is Cc1ccc(C2=C(C(=O)O)CN(C(=O)O)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid?
The InChIKey is LXYOABDVLKXXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9-2-4-10(5-3-9)11-6-7-15(14(18)19)8-12(11)13(16)17/h2-5H,6-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid?
4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid is sourced from PubChem (CID 141365416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).