diethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

C21H27NO6 — CID 1116112

IUPACdiethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC)cc1OC
InChIInChI=1S/C21H27NO6/c1-7-27-20(23)17-12(3)22-13(4)18(21(24)28-8-2)19(17)15-10-9-14(25-5)11-16(15)26-6/h9-11,19,22H,7-8H2,1-6H3
InChIKeyZUSRJOLABHKRGS-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.06
Rot. Bonds7

About diethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

diethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 1116112) has the molecular formula C21H27NO6 and a molecular weight of 389.45 g/mol. Its IUPAC name is diethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID1116112
Molecular FormulaC21H27NO6
Molecular Weight389.45 g/mol
Exact Mass389.18
IUPAC Namediethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC)cc1OC
InChIInChI=1S/C21H27NO6/c1-7-27-20(23)17-12(3)22-13(4)18(21(24)28-8-2)19(17)15-10-9-14(25-5)11-16(15)26-6/h9-11,19,22H,7-8H2,1-6H3
InChIKeyZUSRJOLABHKRGS-UHFFFAOYSA-N
XLogP3.06
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Riodipine
CID 68909
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(p-methoxyphenyl)-2,6-dimethyl-, diethyl ester
CID 97201
Mls003115550
CID 323302
3,5-Diethyl 1,4-dihydro-4-(4-hydroxyphenyl)-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 619963
ethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate
CID 2790079
Ethyl 4-(2-(difluoromethoxy)phenyl)-1,4,5,7-tetrahydro-2-methyl-5-oxofuro(3,4-b)pyridine-3-carboxylate
CID 123861
Dimethyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 704158
Dimethyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 737072
Dimethyl 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 614332
Diallyl 2,6-dimethyl-4-(3-phenoxyphenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
CID 3623916
3,5-Bis(2-propoxyethyl) 4-(2-(difluoromethoxy)phenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 159556
Diethyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 982665

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 1116112) is diethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC)cc1OC.
What is the InChIKey of diethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is ZUSRJOLABHKRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO6/c1-7-27-20(23)17-12(3)22-13(4)18(21(24)28-8-2)19(17)15-10-9-14(25-5)11-16(15)26-6/h9-11,19,22H,7-8H2,1-6H3.
What are the key properties of diethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
diethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 389.45 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 1116112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).