diethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate

C16H25NO4 — CID 619873

IUPACdiethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(C)C
InChIInChI=1S/C16H25NO4/c1-7-20-15(18)13-10(5)17-11(6)14(12(13)9(3)4)16(19)21-8-2/h9,12,17H,7-8H2,1-6H3
InChIKeyWCAAIKAJAUMTSL-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.54
Rot. Bonds5

About diethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate

diethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 619873) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is diethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID619873
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namediethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(C)C
InChIInChI=1S/C16H25NO4/c1-7-20-15(18)13-10(5)17-11(6)14(12(13)9(3)4)16(19)21-8-2/h9,12,17H,7-8H2,1-6H3
InChIKeyWCAAIKAJAUMTSL-UHFFFAOYSA-N
XLogP2.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate
CID 12446
Hantzsch ester
CID 70849
3,5-Diethyl 4-ethyl-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 70857
3,5-Bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic Acid
CID 168683
Dimethyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
CID 87116
2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
CID 2818324
5-O-(2-ethylsulfanylethyl) 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 14743052
3-O-methyl 5-O-(2-methylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 14743053
Diethyl 1,4-dihydro-2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate
CID 101991
Ethyl Methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10610884
3-O-ethyl 5-O-(2-methylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 14743054
3-O-ethyl 5-O-(2-ethylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 14743055

Frequently Asked Questions

What is the IUPAC name of diethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate (CID 619873) is diethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(C)C.
What is the InChIKey of diethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is WCAAIKAJAUMTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-7-20-15(18)13-10(5)17-11(6)14(12(13)9(3)4)16(19)21-8-2/h9,12,17H,7-8H2,1-6H3.
What are the key properties of diethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate?
diethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 295.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 619873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).