dimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate

C23H20N2O6 — CID 10764594

IUPACdimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cc(=O)c2oc3ccccc3c2n1C
InChIInChI=1S/C23H20N2O6/c1-11-17(22(27)29-4)19(18(12(2)24-11)23(28)30-5)14-10-15(26)21-20(25(14)3)13-8-6-7-9-16(13)31-21/h6-10H,1-5H3
InChIKeyMYNUIGFYERBWNW-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.54
Rot. Bonds3

About dimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate

dimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate (PubChem CID 10764594) has the molecular formula C23H20N2O6 and a molecular weight of 420.42 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate
PubChem CID10764594
Molecular FormulaC23H20N2O6
Molecular Weight420.42 g/mol
Exact Mass420.13
IUPAC Namedimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cc(=O)c2oc3ccccc3c2n1C
InChIInChI=1S/C23H20N2O6/c1-11-17(22(27)29-4)19(18(12(2)24-11)23(28)30-5)14-10-15(26)21-20(25(14)3)13-8-6-7-9-16(13)31-21/h6-10H,1-5H3
InChIKeyMYNUIGFYERBWNW-UHFFFAOYSA-N
XLogP3.54
TPSA100.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze dimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate (CID 10764594) is dimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate is COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cc(=O)c2oc3ccccc3c2n1C.
What is the InChIKey of dimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate?
The InChIKey is MYNUIGFYERBWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O6/c1-11-17(22(27)29-4)19(18(12(2)24-11)23(28)30-5)14-10-15(26)21-20(25(14)3)13-8-6-7-9-16(13)31-21/h6-10H,1-5H3.
What are the key properties of dimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate has a molecular weight of 420.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate is sourced from PubChem (CID 10764594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).