bis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate

C20H26N2O6 — CID 57306082

IUPACbis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate
SMILESCOCCOC(=O)C1=C(C)N=C(C)C(C(=O)OCCOC)C1c1cccnc1
InChIInChI=1S/C20H26N2O6/c1-13-16(19(23)27-10-8-25-3)18(15-6-5-7-21-12-15)17(14(2)22-13)20(24)28-11-9-26-4/h5-7,12,16,18H,8-11H2,1-4H3
InChIKeyKZWBBDIEVRMCHS-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.91
Rot. Bonds9

About bis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate

bis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 57306082) has the molecular formula C20H26N2O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is bis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namebis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate
PubChem CID57306082
Molecular FormulaC20H26N2O6
Molecular Weight390.44 g/mol
Exact Mass390.18
IUPAC Namebis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate
SMILESCOCCOC(=O)C1=C(C)N=C(C)C(C(=O)OCCOC)C1c1cccnc1
InChIInChI=1S/C20H26N2O6/c1-13-16(19(23)27-10-8-25-3)18(15-6-5-7-21-12-15)17(14(2)22-13)20(24)28-11-9-26-4/h5-7,12,16,18H,8-11H2,1-4H3
InChIKeyKZWBBDIEVRMCHS-UHFFFAOYSA-N
XLogP1.91
TPSA96.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of bis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate (CID 57306082) is bis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for bis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for bis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate is COCCOC(=O)C1=C(C)N=C(C)C(C(=O)OCCOC)C1c1cccnc1.
What is the InChIKey of bis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is KZWBBDIEVRMCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6/c1-13-16(19(23)27-10-8-25-3)18(15-6-5-7-21-12-15)17(14(2)22-13)20(24)28-11-9-26-4/h5-7,12,16,18H,8-11H2,1-4H3.
What are the key properties of bis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate?
bis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 390.44 g/mol, XLogP of 1.91, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 57306082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).