4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C20H19NO4 — CID 58317181

IUPAC4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)c(-c3ccccc3)c(CCC3CCC3)c2C(=O)N1
InChIInChI=1S/C20H19NO4/c22-16-11-15-18(19(23)21-16)14(10-9-12-5-4-6-12)17(20(24)25-15)13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2,(H,21,22,23)
InChIKeyGXOAIIDPIVFABJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.85
Rot. Bonds4

About 4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317181) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317181
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)c(-c3ccccc3)c(CCC3CCC3)c2C(=O)N1
InChIInChI=1S/C20H19NO4/c22-16-11-15-18(19(23)21-16)14(10-9-12-5-4-6-12)17(20(24)25-15)13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2,(H,21,22,23)
InChIKeyGXOAIIDPIVFABJ-UHFFFAOYSA-N
XLogP2.85
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187271
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
4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317033
4-butyl-3-(4-chlorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317057
benzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate
CID 58317082
4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317129
4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317137

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317181) is 4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)c(-c3ccccc3)c(CCC3CCC3)c2C(=O)N1.
What is the InChIKey of 4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is GXOAIIDPIVFABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-16-11-15-18(19(23)21-16)14(10-9-12-5-4-6-12)17(20(24)25-15)13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2,(H,21,22,23).
What are the key properties of 4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 337.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).