4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C15H11NO4 — CID 58317033

IUPAC4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(Cc3ccccc3)c2C(=O)N1
InChIInChI=1S/C15H11NO4/c17-12-8-11-14(15(19)16-12)10(7-13(18)20-11)6-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H,16,17,19)
InChIKeyZVGJWGPTZOVBCS-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.04
Rot. Bonds2

About 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317033) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317033
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(Cc3ccccc3)c2C(=O)N1
InChIInChI=1S/C15H11NO4/c17-12-8-11-14(15(19)16-12)10(7-13(18)20-11)6-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H,16,17,19)
InChIKeyZVGJWGPTZOVBCS-UHFFFAOYSA-N
XLogP1.04
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187491
4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187598
4-[[4-(2-fluorophenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317021
4-(2-cyclobutylethyl)-3-(4-fluorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317075
4-[(2-fluorophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317164
4-[(3-fluorophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317169
4-butyl-3-(4-fluorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317202
ethyl (E)-4-oxo-4-[(2-phenylacetyl)amino]but-2-enoate
CID 12175283
7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187323
4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187432
4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317011
4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317032

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317033) is 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(Cc3ccccc3)c2C(=O)N1.
What is the InChIKey of 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is ZVGJWGPTZOVBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-12-8-11-14(15(19)16-12)10(7-13(18)20-11)6-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H,16,17,19).
What are the key properties of 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 269.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).