4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid

C26H29NO6 — CID 19096180

IUPAC4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid
SMILESCOc1ccc(C2C(C(=O)O)=C(C)N(CCCc3ccccc3)C(C)=C2C(=O)O)cc1OC
InChIInChI=1S/C26H29NO6/c1-16-22(25(28)29)24(19-12-13-20(32-3)21(15-19)33-4)23(26(30)31)17(2)27(16)14-8-11-18-9-6-5-7-10-18/h5-7,9-10,12-13,15,24H,8,11,14H2,1-4H3,(H,28,29)(H,30,31)
InChIKeyVRORXQOVMIRQFU-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.45
Rot. Bonds9

About 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid

4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid (PubChem CID 19096180) has the molecular formula C26H29NO6 and a molecular weight of 451.52 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid
PubChem CID19096180
Molecular FormulaC26H29NO6
Molecular Weight451.52 g/mol
Exact Mass451.20
IUPAC Name4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid
SMILESCOc1ccc(C2C(C(=O)O)=C(C)N(CCCc3ccccc3)C(C)=C2C(=O)O)cc1OC
InChIInChI=1S/C26H29NO6/c1-16-22(25(28)29)24(19-12-13-20(32-3)21(15-19)33-4)23(26(30)31)17(2)27(16)14-8-11-18-9-6-5-7-10-18/h5-7,9-10,12-13,15,24H,8,11,14H2,1-4H3,(H,28,29)(H,30,31)
InChIKeyVRORXQOVMIRQFU-UHFFFAOYSA-N
XLogP4.45
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-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

Related Compounds

3-O-methyl 5-O-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl] 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate
CID 10416784
4-(3,4-dimethoxyphenyl)-5-(hydroxymethyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3-carbonitrile
CID 19760396
2,6-dimethyl-4-(4-nitrophenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid
CID 70384390
dimethyl 2,6-dimethyl-4-(4-methylphenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate
CID 14721225
3-cyano-4-(3,4-dimethoxyphenyl)-5-ethoxycarbonyl-1-(3-phenylpropyl)-4H-pyridine-2-carboxylic acid
CID 23128354
dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-[3-(pyridin-3-ylmethoxy)propyl]-4H-pyridine-3,5-dicarboxylate
CID 10481441
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
methyl (6S)-3-benzyl-6-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1192374
5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide
CID 3825507
1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434
oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 90483761
(4R)-4-(3,4-dimethoxyphenyl)-6-(3-phenylpropyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42099481

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid (CID 19096180) is 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid is COc1ccc(C2C(C(=O)O)=C(C)N(CCCc3ccccc3)C(C)=C2C(=O)O)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid?
The InChIKey is VRORXQOVMIRQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO6/c1-16-22(25(28)29)24(19-12-13-20(32-3)21(15-19)33-4)23(26(30)31)17(2)27(16)14-8-11-18-9-6-5-7-10-18/h5-7,9-10,12-13,15,24H,8,11,14H2,1-4H3,(H,28,29)(H,30,31).
What are the key properties of 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid?
4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid has a molecular weight of 451.52 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 19096180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).