methyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate

C15H18N2O4 — CID 660801

IUPACmethyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate
SMILESCOC(=O)COc1nc(C)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C15H18N2O4/c1-9-12-7-21-15(2,3)5-10(12)11(6-16)14(17-9)20-8-13(18)19-4/h5,7-8H2,1-4H3
InChIKeyDHZXKPDJCLOGAU-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.66
Rot. Bonds3

About methyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate

methyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate (PubChem CID 660801) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate
PubChem CID660801
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate
SMILESCOC(=O)COc1nc(C)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C15H18N2O4/c1-9-12-7-21-15(2,3)5-10(12)11(6-16)14(17-9)20-8-13(18)19-4/h5,7-8H2,1-4H3
InChIKeyDHZXKPDJCLOGAU-UHFFFAOYSA-N
XLogP1.66
TPSA81.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate?
The IUPAC name of methyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate (CID 660801) is methyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate.
What is the SMILES notation for methyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate?
The canonical SMILES for methyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate is COC(=O)COc1nc(C)c2c(c1C#N)CC(C)(C)OC2.
What is the InChIKey of methyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate?
The InChIKey is DHZXKPDJCLOGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-12-7-21-15(2,3)5-10(12)11(6-16)14(17-9)20-8-13(18)19-4/h5,7-8H2,1-4H3.
What are the key properties of methyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate?
methyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate has a molecular weight of 290.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate is sourced from PubChem (CID 660801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).