1,1-dimethyl-5-(pyridin-4-ylmethyl)furo[3,4-c]pyridine-3,4-dione

C15H14N2O3 — CID 70690174

IUPAC1,1-dimethyl-5-(pyridin-4-ylmethyl)furo[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(Cc1ccncc1)c2=O
InChIInChI=1S/C15H14N2O3/c1-15(2)11-5-8-17(9-10-3-6-16-7-4-10)13(18)12(11)14(19)20-15/h3-8H,9H2,1-2H3
InChIKeyOQBOPEWPTPJKRZ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.70
Rot. Bonds2

About 1,1-dimethyl-5-(pyridin-4-ylmethyl)furo[3,4-c]pyridine-3,4-dione

1,1-dimethyl-5-(pyridin-4-ylmethyl)furo[3,4-c]pyridine-3,4-dione (PubChem CID 70690174) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1,1-dimethyl-5-(pyridin-4-ylmethyl)furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name1,1-dimethyl-5-(pyridin-4-ylmethyl)furo[3,4-c]pyridine-3,4-dione
PubChem CID70690174
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name1,1-dimethyl-5-(pyridin-4-ylmethyl)furo[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(Cc1ccncc1)c2=O
InChIInChI=1S/C15H14N2O3/c1-15(2)11-5-8-17(9-10-3-6-16-7-4-10)13(18)12(11)14(19)20-15/h3-8H,9H2,1-2H3
InChIKeyOQBOPEWPTPJKRZ-UHFFFAOYSA-N
XLogP1.70
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-5-(pyridin-4-ylmethyl)furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of 1,1-dimethyl-5-(pyridin-4-ylmethyl)furo[3,4-c]pyridine-3,4-dione (CID 70690174) is 1,1-dimethyl-5-(pyridin-4-ylmethyl)furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 1,1-dimethyl-5-(pyridin-4-ylmethyl)furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 1,1-dimethyl-5-(pyridin-4-ylmethyl)furo[3,4-c]pyridine-3,4-dione is CC1(C)OC(=O)c2c1ccn(Cc1ccncc1)c2=O.
What is the InChIKey of 1,1-dimethyl-5-(pyridin-4-ylmethyl)furo[3,4-c]pyridine-3,4-dione?
The InChIKey is OQBOPEWPTPJKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-15(2)11-5-8-17(9-10-3-6-16-7-4-10)13(18)12(11)14(19)20-15/h3-8H,9H2,1-2H3.
What are the key properties of 1,1-dimethyl-5-(pyridin-4-ylmethyl)furo[3,4-c]pyridine-3,4-dione?
1,1-dimethyl-5-(pyridin-4-ylmethyl)furo[3,4-c]pyridine-3,4-dione has a molecular weight of 270.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-5-(pyridin-4-ylmethyl)furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 70690174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).