7-benzyl-4-ethyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione

C17H17NO3 — CID 12000456

IUPAC7-benzyl-4-ethyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione
SMILESCCC1C(=O)OCc2c1ccn(Cc1ccccc1)c2=O
InChIInChI=1S/C17H17NO3/c1-2-13-14-8-9-18(10-12-6-4-3-5-7-12)16(19)15(14)11-21-17(13)20/h3-9,13H,2,10-11H2,1H3
InChIKeyDCQLCHMQCQHJBE-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.45
Rot. Bonds3

About 7-benzyl-4-ethyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione

7-benzyl-4-ethyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione (PubChem CID 12000456) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 7-benzyl-4-ethyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione.

Molecular Properties

Compound Name7-benzyl-4-ethyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione
PubChem CID12000456
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name7-benzyl-4-ethyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione
SMILESCCC1C(=O)OCc2c1ccn(Cc1ccccc1)c2=O
InChIInChI=1S/C17H17NO3/c1-2-13-14-8-9-18(10-12-6-4-3-5-7-12)16(19)15(14)11-21-17(13)20/h3-9,13H,2,10-11H2,1H3
InChIKeyDCQLCHMQCQHJBE-UHFFFAOYSA-N
XLogP2.45
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-ethyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione?
The IUPAC name of 7-benzyl-4-ethyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione (CID 12000456) is 7-benzyl-4-ethyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione.
What is the SMILES notation for 7-benzyl-4-ethyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione?
The canonical SMILES for 7-benzyl-4-ethyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione is CCC1C(=O)OCc2c1ccn(Cc1ccccc1)c2=O.
What is the InChIKey of 7-benzyl-4-ethyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione?
The InChIKey is DCQLCHMQCQHJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-13-14-8-9-18(10-12-6-4-3-5-7-12)16(19)15(14)11-21-17(13)20/h3-9,13H,2,10-11H2,1H3.
What are the key properties of 7-benzyl-4-ethyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione?
7-benzyl-4-ethyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione has a molecular weight of 283.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4-ethyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione is sourced from PubChem (CID 12000456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).