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

C17H20N2O4 — CID 714587

IUPACdimethyl 1,2,6-trimethyl-4-pyridin-2-yl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccn1
InChIInChI=1S/C17H20N2O4/c1-10-13(16(20)22-4)15(12-8-6-7-9-18-12)14(17(21)23-5)11(2)19(10)3/h6-9,15H,1-5H3
InChIKeyQTKPLCMARUSJFJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.00
Rot. Bonds3

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

dimethyl 1,2,6-trimethyl-4-pyridin-2-yl-4H-pyridine-3,5-dicarboxylate (PubChem CID 714587) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is dimethyl 1,2,6-trimethyl-4-pyridin-2-yl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,2,6-trimethyl-4-pyridin-2-yl-4H-pyridine-3,5-dicarboxylate
PubChem CID714587
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Namedimethyl 1,2,6-trimethyl-4-pyridin-2-yl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccn1
InChIInChI=1S/C17H20N2O4/c1-10-13(16(20)22-4)15(12-8-6-7-9-18-12)14(17(21)23-5)11(2)19(10)3/h6-9,15H,1-5H3
InChIKeyQTKPLCMARUSJFJ-UHFFFAOYSA-N
XLogP2.00
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1,2,6-trimethyl-4-pyridin-2-yl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1,2,6-trimethyl-4-pyridin-2-yl-4H-pyridine-3,5-dicarboxylate (CID 714587) is dimethyl 1,2,6-trimethyl-4-pyridin-2-yl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1,2,6-trimethyl-4-pyridin-2-yl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1,2,6-trimethyl-4-pyridin-2-yl-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccn1.
What is the InChIKey of dimethyl 1,2,6-trimethyl-4-pyridin-2-yl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is QTKPLCMARUSJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10-13(16(20)22-4)15(12-8-6-7-9-18-12)14(17(21)23-5)11(2)19(10)3/h6-9,15H,1-5H3.
What are the key properties of dimethyl 1,2,6-trimethyl-4-pyridin-2-yl-4H-pyridine-3,5-dicarboxylate?
dimethyl 1,2,6-trimethyl-4-pyridin-2-yl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,2,6-trimethyl-4-pyridin-2-yl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 714587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).