[5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate

C20H26N2O6 — CID 70472773

IUPAC[5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(C)NC(C)=C(OC(=O)OCC)C1CCc1cccnc1
InChIInChI=1S/C20H26N2O6/c1-5-25-19(23)27-17-13(3)22-14(4)18(28-20(24)26-6-2)16(17)10-9-15-8-7-11-21-12-15/h7-8,11-12,16,22H,5-6,9-10H2,1-4H3
InChIKeyFNHVEWDUPHPXCR-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.04
Rot. Bonds7

About [5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate

[5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate (PubChem CID 70472773) has the molecular formula C20H26N2O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is [5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate.

Molecular Properties

Compound Name[5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate
PubChem CID70472773
Molecular FormulaC20H26N2O6
Molecular Weight390.44 g/mol
Exact Mass390.18
IUPAC Name[5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(C)NC(C)=C(OC(=O)OCC)C1CCc1cccnc1
InChIInChI=1S/C20H26N2O6/c1-5-25-19(23)27-17-13(3)22-14(4)18(28-20(24)26-6-2)16(17)10-9-15-8-7-11-21-12-15/h7-8,11-12,16,22H,5-6,9-10H2,1-4H3
InChIKeyFNHVEWDUPHPXCR-UHFFFAOYSA-N
XLogP4.04
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate with MolForge

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Related Compounds

bis(3-pyridin-3-ylpropyl) 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 67694201
[4-[4-(benzylcarbamoyl)phenyl]-2,6-dimethyl-5-(3-pyridin-3-ylpropoxycarbonyloxy)-1,4-dihydropyridin-3-yl] 3-pyridin-3-ylpropyl carbonate
CID 70472718
diethyl 2-hydroxy-2-(2-pyridin-3-ylethyl)propanedioate
CID 19075739
(2-ethyl-5-methoxycarbonyloxy-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl) methyl carbonate
CID 70573933
ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate
CID 61410175
(5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate
CID 70570530
N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
1-(1-adamantyl)-3-pyridin-3-ylpropan-1-one
CID 23355088
ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide
CID 159498879
3-(2-cyclobutylethyl)pyridine
CID 57204476
N-(pyridin-3-ylmethyl)propanehydrazide
CID 70312825
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868

Frequently Asked Questions

What is the IUPAC name of [5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate?
The IUPAC name of [5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate (CID 70472773) is [5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate.
What is the SMILES notation for [5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate?
The canonical SMILES for [5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate is CCOC(=O)OC1=C(C)NC(C)=C(OC(=O)OCC)C1CCc1cccnc1.
What is the InChIKey of [5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate?
The InChIKey is FNHVEWDUPHPXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6/c1-5-25-19(23)27-17-13(3)22-14(4)18(28-20(24)26-6-2)16(17)10-9-15-8-7-11-21-12-15/h7-8,11-12,16,22H,5-6,9-10H2,1-4H3.
What are the key properties of [5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate?
[5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate has a molecular weight of 390.44 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate is sourced from PubChem (CID 70472773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).