diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate

C22H27NO7 — CID 135122096

IUPACdiethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C22H27NO7/c1-8-29-21(24)17-12(3)23-13(4)18(22(25)30-9-2)20(17)19-15(27-6)10-14(26-5)11-16(19)28-7/h10-11H,8-9H2,1-7H3
InChIKeyVFWJFSKPXNBMNN-UHFFFAOYSA-N
MW417.46 g/mol
LogP3.74
Rot. Bonds8

About diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate

diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate (PubChem CID 135122096) has the molecular formula C22H27NO7 and a molecular weight of 417.46 g/mol. Its IUPAC name is diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate
PubChem CID135122096
Molecular FormulaC22H27NO7
Molecular Weight417.46 g/mol
Exact Mass417.18
IUPAC Namediethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C22H27NO7/c1-8-29-21(24)17-12(3)23-13(4)18(22(25)30-9-2)20(17)19-15(27-6)10-14(26-5)11-16(19)28-7/h10-11H,8-9H2,1-7H3
InChIKeyVFWJFSKPXNBMNN-UHFFFAOYSA-N
XLogP3.74
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

diethyl 4-(3-hydroxy-4-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 11291749
ethyl 2-fluoro-4,6-dimethoxybenzoate
CID 134644513
ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine
CID 19032350
diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232519
ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate
CID 618553
dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232490
diethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 135662920
ethyl 5,7-dimethoxy-1,4-dioxonaphthalene-2-carboxylate
CID 102153258
ethyl 2-acetyl-3-amino-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 118716257
ethyl 5-(2-fluoro-4,6-dimethoxyphenyl)-2H-triazole-4-carboxylate
CID 169401502
ethyl 2-(4-ethoxy-3-methyl-2,4-dioxobutyl)-4,6-dimethoxybenzoate
CID 11739633
diethyl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 135662922

Frequently Asked Questions

What is the IUPAC name of diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate (CID 135122096) is diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate is CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1c(OC)cc(OC)cc1OC.
What is the InChIKey of diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate?
The InChIKey is VFWJFSKPXNBMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO7/c1-8-29-21(24)17-12(3)23-13(4)18(22(25)30-9-2)20(17)19-15(27-6)10-14(26-5)11-16(19)28-7/h10-11H,8-9H2,1-7H3.
What are the key properties of diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate?
diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate has a molecular weight of 417.46 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate is sourced from PubChem (CID 135122096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).