diethyl 2,6-dimethyl-4-(4-oxo-5H-pyrano[3,2-b]indol-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate

C24H24N2O6 — CID 10365734

IUPACdiethyl 2,6-dimethyl-4-(4-oxo-5H-pyrano[3,2-b]indol-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1coc2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C24H24N2O6/c1-5-30-23(28)17-12(3)25-13(4)18(24(29)31-6-2)19(17)15-11-32-22-14-9-7-8-10-16(14)26-20(22)21(15)27/h7-11,19,25-26H,5-6H2,1-4H3
InChIKeyBYIHBBQAKXSAGS-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.64
Rot. Bonds5

About diethyl 2,6-dimethyl-4-(4-oxo-5H-pyrano[3,2-b]indol-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate

diethyl 2,6-dimethyl-4-(4-oxo-5H-pyrano[3,2-b]indol-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 10365734) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is diethyl 2,6-dimethyl-4-(4-oxo-5H-pyrano[3,2-b]indol-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,6-dimethyl-4-(4-oxo-5H-pyrano[3,2-b]indol-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID10365734
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Namediethyl 2,6-dimethyl-4-(4-oxo-5H-pyrano[3,2-b]indol-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1coc2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C24H24N2O6/c1-5-30-23(28)17-12(3)25-13(4)18(24(29)31-6-2)19(17)15-11-32-22-14-9-7-8-10-16(14)26-20(22)21(15)27/h7-11,19,25-26H,5-6H2,1-4H3
InChIKeyBYIHBBQAKXSAGS-UHFFFAOYSA-N
XLogP3.64
TPSA110.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 2,6-dimethyl-4-(4-oxo-5H-pyrano[3,2-b]indol-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2,6-dimethyl-4-(4-oxo-5H-pyrano[3,2-b]indol-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 10365734) is diethyl 2,6-dimethyl-4-(4-oxo-5H-pyrano[3,2-b]indol-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2,6-dimethyl-4-(4-oxo-5H-pyrano[3,2-b]indol-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2,6-dimethyl-4-(4-oxo-5H-pyrano[3,2-b]indol-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1coc2c([nH]c3ccccc32)c1=O.
What is the InChIKey of diethyl 2,6-dimethyl-4-(4-oxo-5H-pyrano[3,2-b]indol-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is BYIHBBQAKXSAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-5-30-23(28)17-12(3)25-13(4)18(24(29)31-6-2)19(17)15-11-32-22-14-9-7-8-10-16(14)26-20(22)21(15)27/h7-11,19,25-26H,5-6H2,1-4H3.
What are the key properties of diethyl 2,6-dimethyl-4-(4-oxo-5H-pyrano[3,2-b]indol-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
diethyl 2,6-dimethyl-4-(4-oxo-5H-pyrano[3,2-b]indol-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 436.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,6-dimethyl-4-(4-oxo-5H-pyrano[3,2-b]indol-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 10365734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).