diethyl 1,2,6-trimethyl-4-pyridin-3-yl-4H-pyridine-3,5-dicarboxylate

C19H24N2O4 — CID 758229

IUPACdiethyl 1,2,6-trimethyl-4-pyridin-3-yl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1cccnc1
InChIInChI=1S/C19H24N2O4/c1-6-24-18(22)15-12(3)21(5)13(4)16(19(23)25-7-2)17(15)14-9-8-10-20-11-14/h8-11,17H,6-7H2,1-5H3
InChIKeyJWIOKRWTZDBPKX-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.78
Rot. Bonds5

About diethyl 1,2,6-trimethyl-4-pyridin-3-yl-4H-pyridine-3,5-dicarboxylate

diethyl 1,2,6-trimethyl-4-pyridin-3-yl-4H-pyridine-3,5-dicarboxylate (PubChem CID 758229) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is diethyl 1,2,6-trimethyl-4-pyridin-3-yl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,2,6-trimethyl-4-pyridin-3-yl-4H-pyridine-3,5-dicarboxylate
PubChem CID758229
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namediethyl 1,2,6-trimethyl-4-pyridin-3-yl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1cccnc1
InChIInChI=1S/C19H24N2O4/c1-6-24-18(22)15-12(3)21(5)13(4)16(19(23)25-7-2)17(15)14-9-8-10-20-11-14/h8-11,17H,6-7H2,1-5H3
InChIKeyJWIOKRWTZDBPKX-UHFFFAOYSA-N
XLogP2.78
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 1,2,6-trimethyl-4-pyridin-3-yl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 1,2,6-trimethyl-4-pyridin-3-yl-4H-pyridine-3,5-dicarboxylate (CID 758229) is diethyl 1,2,6-trimethyl-4-pyridin-3-yl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1,2,6-trimethyl-4-pyridin-3-yl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 1,2,6-trimethyl-4-pyridin-3-yl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1cccnc1.
What is the InChIKey of diethyl 1,2,6-trimethyl-4-pyridin-3-yl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is JWIOKRWTZDBPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-6-24-18(22)15-12(3)21(5)13(4)16(19(23)25-7-2)17(15)14-9-8-10-20-11-14/h8-11,17H,6-7H2,1-5H3.
What are the key properties of diethyl 1,2,6-trimethyl-4-pyridin-3-yl-4H-pyridine-3,5-dicarboxylate?
diethyl 1,2,6-trimethyl-4-pyridin-3-yl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 344.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,2,6-trimethyl-4-pyridin-3-yl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 758229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).