diethyl 4-methyl-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate

C24H25NO4 — CID 633167

IUPACdiethyl 4-methyl-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(c2ccccc2)=C(C(=O)OCC)C1C
InChIInChI=1S/C24H25NO4/c1-4-28-23(26)19-16(3)20(24(27)29-5-2)22(18-14-10-7-11-15-18)25-21(19)17-12-8-6-9-13-17/h6-16,25H,4-5H2,1-3H3
InChIKeyDLNSYZACMPIALW-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.17
Rot. Bonds6

About diethyl 4-methyl-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate

diethyl 4-methyl-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 633167) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is diethyl 4-methyl-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-methyl-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID633167
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Namediethyl 4-methyl-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(c2ccccc2)=C(C(=O)OCC)C1C
InChIInChI=1S/C24H25NO4/c1-4-28-23(26)19-16(3)20(24(27)29-5-2)22(18-14-10-7-11-15-18)25-21(19)17-12-8-6-9-13-17/h6-16,25H,4-5H2,1-3H3
InChIKeyDLNSYZACMPIALW-UHFFFAOYSA-N
XLogP4.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-methyl-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-methyl-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 633167) is diethyl 4-methyl-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-methyl-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-methyl-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=C(c2ccccc2)NC(c2ccccc2)=C(C(=O)OCC)C1C.
What is the InChIKey of diethyl 4-methyl-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is DLNSYZACMPIALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-4-28-23(26)19-16(3)20(24(27)29-5-2)22(18-14-10-7-11-15-18)25-21(19)17-12-8-6-9-13-17/h6-16,25H,4-5H2,1-3H3.
What are the key properties of diethyl 4-methyl-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate?
diethyl 4-methyl-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 391.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-methyl-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 633167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).