diethyl 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate

C23H24N2O4 — CID 11794848

IUPACdiethyl 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1ccncc1
InChIInChI=1S/C23H24N2O4/c1-4-28-22(26)18-15(3)25-21(17-9-7-6-8-10-17)20(23(27)29-5-2)19(18)16-11-13-24-14-12-16/h6-14,19,25H,4-5H2,1-3H3
InChIKeyAWXNMALFLVKBBE-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.58
Rot. Bonds6

About diethyl 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate

diethyl 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 11794848) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is diethyl 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID11794848
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Namediethyl 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1ccncc1
InChIInChI=1S/C23H24N2O4/c1-4-28-22(26)18-15(3)25-21(17-9-7-6-8-10-17)20(23(27)29-5-2)19(18)16-11-13-24-14-12-16/h6-14,19,25H,4-5H2,1-3H3
InChIKeyAWXNMALFLVKBBE-UHFFFAOYSA-N
XLogP3.58
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate (CID 11794848) is diethyl 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1ccncc1.
What is the InChIKey of diethyl 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is AWXNMALFLVKBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-4-28-22(26)18-15(3)25-21(17-9-7-6-8-10-17)20(23(27)29-5-2)19(18)16-11-13-24-14-12-16/h6-14,19,25H,4-5H2,1-3H3.
What are the key properties of diethyl 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate?
diethyl 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 392.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 11794848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).