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

C24H24N2O6 — CID 70384390

IUPAC2,6-dimethyl-4-(4-nitrophenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)O)=C(C)N1CCCc1ccccc1
InChIInChI=1S/C24H24N2O6/c1-15-20(23(27)28)22(18-10-12-19(13-11-18)26(31)32)21(24(29)30)16(2)25(15)14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,22H,6,9,14H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyVZODARMWLQJQBT-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.34
Rot. Bonds8

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

2,6-dimethyl-4-(4-nitrophenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid (PubChem CID 70384390) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-nitrophenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-nitrophenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid
PubChem CID70384390
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name2,6-dimethyl-4-(4-nitrophenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)O)=C(C)N1CCCc1ccccc1
InChIInChI=1S/C24H24N2O6/c1-15-20(23(27)28)22(18-10-12-19(13-11-18)26(31)32)21(24(29)30)16(2)25(15)14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,22H,6,9,14H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyVZODARMWLQJQBT-UHFFFAOYSA-N
XLogP4.34
TPSA120.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid
CID 19096180
dimethyl 2,6-dimethyl-4-(4-methylphenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate
CID 14721225
1-(3,3-diphenylpropyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid
CID 69426872
2,6-dimethyl-4-(3-nitrophenyl)-1-(4-phenylbut-3-enyl)-4H-pyridine-3,5-dicarboxylic acid
CID 67937597
1-[3-[ethyl(1-hydroxyethyl)amino]propyl]-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid
CID 141216790
2-amino-6-methyl-4-(3-nitrophenyl)-3-(3-phenylpropyl)-4H-pyrimidine-5-carboxylic acid
CID 21293365
5-nitro-1-(4-phenylbutyl)indole-2-carboxylic acid
CID 164628172
5-hexa-1,5-diynoxycarbonyl-1,2,6-trimethyl-4-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid
CID 88826547
ethyl (6S)-3-benzyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1192383
4-(3,4-difluoro-2-methoxyphenyl)-2,6-dimethyl-5-nitro-1-(2-phenylethyl)-4H-pyridine-3-carboxylic acid
CID 174303044
5-[3-(4,4-diphenyl-1,4-azasilinan-1-yl)propylcarbamoyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
CID 11181024
(E)-1-(4-nitrophenyl)-6-phenylhex-1-en-3-one
CID 11426428

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-nitrophenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2,6-dimethyl-4-(4-nitrophenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid (CID 70384390) is 2,6-dimethyl-4-(4-nitrophenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-(4-nitrophenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-(4-nitrophenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid is CC1=C(C(=O)O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)O)=C(C)N1CCCc1ccccc1.
What is the InChIKey of 2,6-dimethyl-4-(4-nitrophenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid?
The InChIKey is VZODARMWLQJQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-15-20(23(27)28)22(18-10-12-19(13-11-18)26(31)32)21(24(29)30)16(2)25(15)14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,22H,6,9,14H2,1-2H3,(H,27,28)(H,29,30).
What are the key properties of 2,6-dimethyl-4-(4-nitrophenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid?
2,6-dimethyl-4-(4-nitrophenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid has a molecular weight of 436.46 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-nitrophenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 70384390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).