5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

C20H24N2O4 — CID 155908669

IUPAC5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OCC(C)C)c1-c1ccccc1N
InChIInChI=1S/C20H24N2O4/c1-11(2)10-26-20(24)17-13(4)22-12(3)16(19(23)25-5)18(17)14-8-6-7-9-15(14)21/h6-9,11H,10,21H2,1-5H3
InChIKeyWMGMYXYSZOZRGR-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.55
Rot. Bonds5

About 5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate (PubChem CID 155908669) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Name5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
PubChem CID155908669
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OCC(C)C)c1-c1ccccc1N
InChIInChI=1S/C20H24N2O4/c1-11(2)10-26-20(24)17-13(4)22-12(3)16(19(23)25-5)18(17)14-8-6-7-9-15(14)21/h6-9,11H,10,21H2,1-5H3
InChIKeyWMGMYXYSZOZRGR-UHFFFAOYSA-N
XLogP3.55
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate
CID 116647606
ethyl 2-amino-4-methyl-6-[2-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851288
5-O-methyl 3-O-(oxolan-2-ylmethyl) 4-(2-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 22898675
2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-pyridinyl]methoxy]acetic acid
CID 14271878
3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate
CID 71208997
5-O-methyl 3-O-(3-methyl-4-phenylbutyl) 2,6-dimethyl-4-(3-methylphenyl)pyridine-3,5-dicarboxylate
CID 176873539
1-O-methyl 3-O-(2-methylpropyl) benzene-1,3-dicarboxylate
CID 22571196
dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232490
methyl 5-amino-6-(4-methylpentan-2-yloxy)pyridine-2-carboxylate
CID 114408539
2-O-(2-chloropropyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91720151
2-methylpropyl 2,6-difluorobenzoate
CID 587969
2-methylpropyl N-(2-aminophenyl)carbamate
CID 43185966

Frequently Asked Questions

What is the IUPAC name of 5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The IUPAC name of 5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate (CID 155908669) is 5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate.
What is the SMILES notation for 5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The canonical SMILES for 5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate is COC(=O)c1c(C)nc(C)c(C(=O)OCC(C)C)c1-c1ccccc1N.
What is the InChIKey of 5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The InChIKey is WMGMYXYSZOZRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-11(2)10-26-20(24)17-13(4)22-12(3)16(19(23)25-5)18(17)14-8-6-7-9-15(14)21/h6-9,11H,10,21H2,1-5H3.
What are the key properties of 5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate has a molecular weight of 356.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 155908669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).