4-hydroxy-3-methyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione

C21H15NO4 — CID 54708978

IUPAC4-hydroxy-3-methyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione
SMILESCc1c(O)c2c(=O)n(-c3ccccc3)c(-c3ccccc3)cc2oc1=O
InChIInChI=1S/C21H15NO4/c1-13-19(23)18-17(26-21(13)25)12-16(14-8-4-2-5-9-14)22(20(18)24)15-10-6-3-7-11-15/h2-12,23H,1H3
InChIKeyAGHSEVIEGLASEL-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.62
Rot. Bonds2

About 4-hydroxy-3-methyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione

4-hydroxy-3-methyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 54708978) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-hydroxy-3-methyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID54708978
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name4-hydroxy-3-methyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione
SMILESCc1c(O)c2c(=O)n(-c3ccccc3)c(-c3ccccc3)cc2oc1=O
InChIInChI=1S/C21H15NO4/c1-13-19(23)18-17(26-21(13)25)12-16(14-8-4-2-5-9-14)22(20(18)24)15-10-6-3-7-11-15/h2-12,23H,1H3
InChIKeyAGHSEVIEGLASEL-UHFFFAOYSA-N
XLogP3.62
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-hydroxy-3-methyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione (CID 54708978) is 4-hydroxy-3-methyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-hydroxy-3-methyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-hydroxy-3-methyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione is Cc1c(O)c2c(=O)n(-c3ccccc3)c(-c3ccccc3)cc2oc1=O.
What is the InChIKey of 4-hydroxy-3-methyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is AGHSEVIEGLASEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4/c1-13-19(23)18-17(26-21(13)25)12-16(14-8-4-2-5-9-14)22(20(18)24)15-10-6-3-7-11-15/h2-12,23H,1H3.
What are the key properties of 4-hydroxy-3-methyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione?
4-hydroxy-3-methyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 345.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 54708978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).