dimethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

C13H19NO4 — CID 3588239

IUPACdimethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCC1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC
InChIInChI=1S/C13H19NO4/c1-6-9-10(12(15)17-4)7(2)14-8(3)11(9)13(16)18-5/h9,14H,6H2,1-5H3
InChIKeyQLQNWNJCLAMGMN-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.51
Rot. Bonds3

About dimethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 3588239) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is dimethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID3588239
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namedimethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCC1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC
InChIInChI=1S/C13H19NO4/c1-6-9-10(12(15)17-4)7(2)14-8(3)11(9)13(16)18-5/h9,14H,6H2,1-5H3
InChIKeyQLQNWNJCLAMGMN-UHFFFAOYSA-N
XLogP1.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 3588239) is dimethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is CCC1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC.
What is the InChIKey of dimethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is QLQNWNJCLAMGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-6-9-10(12(15)17-4)7(2)14-8(3)11(9)13(16)18-5/h9,14H,6H2,1-5H3.
What are the key properties of dimethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 3588239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).