6-benzyl-7-methylpyrano[3,2-c]pyridine-2,5-dione

C16H13NO3 — CID 10635528

IUPAC6-benzyl-7-methylpyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2oc(=O)ccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C16H13NO3/c1-11-9-14-13(7-8-15(18)20-14)16(19)17(11)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyKQUHIXVSLSWRDX-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.31
Rot. Bonds2

About 6-benzyl-7-methylpyrano[3,2-c]pyridine-2,5-dione

6-benzyl-7-methylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 10635528) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 6-benzyl-7-methylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name6-benzyl-7-methylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID10635528
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name6-benzyl-7-methylpyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2oc(=O)ccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C16H13NO3/c1-11-9-14-13(7-8-15(18)20-14)16(19)17(11)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyKQUHIXVSLSWRDX-UHFFFAOYSA-N
XLogP2.31
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-methylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 6-benzyl-7-methylpyrano[3,2-c]pyridine-2,5-dione (CID 10635528) is 6-benzyl-7-methylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 6-benzyl-7-methylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 6-benzyl-7-methylpyrano[3,2-c]pyridine-2,5-dione is Cc1cc2oc(=O)ccc2c(=O)n1Cc1ccccc1.
What is the InChIKey of 6-benzyl-7-methylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is KQUHIXVSLSWRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-11-9-14-13(7-8-15(18)20-14)16(19)17(11)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 6-benzyl-7-methylpyrano[3,2-c]pyridine-2,5-dione?
6-benzyl-7-methylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 267.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7-methylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 10635528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).