diethyl 2,6-dimethyl-4-pyridin-2-ylpyridine-3,5-dicarboxylate

C18H20N2O4 — CID 1070616

IUPACdiethyl 2,6-dimethyl-4-pyridin-2-ylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccccn1
InChIInChI=1S/C18H20N2O4/c1-5-23-17(21)14-11(3)20-12(4)15(18(22)24-6-2)16(14)13-9-7-8-10-19-13/h7-10H,5-6H2,1-4H3
InChIKeyILRPRALGGYTZKO-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.11
Rot. Bonds5

About diethyl 2,6-dimethyl-4-pyridin-2-ylpyridine-3,5-dicarboxylate

diethyl 2,6-dimethyl-4-pyridin-2-ylpyridine-3,5-dicarboxylate (PubChem CID 1070616) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is diethyl 2,6-dimethyl-4-pyridin-2-ylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,6-dimethyl-4-pyridin-2-ylpyridine-3,5-dicarboxylate
PubChem CID1070616
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namediethyl 2,6-dimethyl-4-pyridin-2-ylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccccn1
InChIInChI=1S/C18H20N2O4/c1-5-23-17(21)14-11(3)20-12(4)15(18(22)24-6-2)16(14)13-9-7-8-10-19-13/h7-10H,5-6H2,1-4H3
InChIKeyILRPRALGGYTZKO-UHFFFAOYSA-N
XLogP3.11
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 2,6-dimethyl-4-pyridin-2-ylpyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2,6-dimethyl-4-pyridin-2-ylpyridine-3,5-dicarboxylate (CID 1070616) is diethyl 2,6-dimethyl-4-pyridin-2-ylpyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2,6-dimethyl-4-pyridin-2-ylpyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2,6-dimethyl-4-pyridin-2-ylpyridine-3,5-dicarboxylate is CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccccn1.
What is the InChIKey of diethyl 2,6-dimethyl-4-pyridin-2-ylpyridine-3,5-dicarboxylate?
The InChIKey is ILRPRALGGYTZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-5-23-17(21)14-11(3)20-12(4)15(18(22)24-6-2)16(14)13-9-7-8-10-19-13/h7-10H,5-6H2,1-4H3.
What are the key properties of diethyl 2,6-dimethyl-4-pyridin-2-ylpyridine-3,5-dicarboxylate?
diethyl 2,6-dimethyl-4-pyridin-2-ylpyridine-3,5-dicarboxylate has a molecular weight of 328.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,6-dimethyl-4-pyridin-2-ylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 1070616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).