2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid

C15H15NO4 — CID 54203754

IUPAC2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid
SMILESCC1=NC(C)=C(C(=O)O)C(c2ccccc2)C1C(=O)O
InChIInChI=1S/C15H15NO4/c1-8-11(14(17)18)13(10-6-4-3-5-7-10)12(15(19)20)9(2)16-8/h3-7,11,13H,1-2H3,(H,17,18)(H,19,20)
InChIKeyPRBMELBEZBWAEB-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.30
Rot. Bonds3

About 2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid

2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid (PubChem CID 54203754) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid
PubChem CID54203754
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid
SMILESCC1=NC(C)=C(C(=O)O)C(c2ccccc2)C1C(=O)O
InChIInChI=1S/C15H15NO4/c1-8-11(14(17)18)13(10-6-4-3-5-7-10)12(15(19)20)9(2)16-8/h3-7,11,13H,1-2H3,(H,17,18)(H,19,20)
InChIKeyPRBMELBEZBWAEB-UHFFFAOYSA-N
XLogP2.30
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid?
The IUPAC name of 2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid (CID 54203754) is 2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid is CC1=NC(C)=C(C(=O)O)C(c2ccccc2)C1C(=O)O.
What is the InChIKey of 2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid?
The InChIKey is PRBMELBEZBWAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-8-11(14(17)18)13(10-6-4-3-5-7-10)12(15(19)20)9(2)16-8/h3-7,11,13H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid?
2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 54203754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).