6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C20H19NO4 — CID 58317218

IUPAC6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCc1c2c(oc(=O)c1-c1ccccc1)CC(=O)N(C1CCC1)C2=O
InChIInChI=1S/C20H19NO4/c1-2-14-17(12-7-4-3-5-8-12)20(24)25-15-11-16(22)21(13-9-6-10-13)19(23)18(14)15/h3-5,7-8,13H,2,6,9-11H2,1H3
InChIKeyOBTDWQLGXSXYDI-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.95
Rot. Bonds3

About 6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione

6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317218) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317218
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCc1c2c(oc(=O)c1-c1ccccc1)CC(=O)N(C1CCC1)C2=O
InChIInChI=1S/C20H19NO4/c1-2-14-17(12-7-4-3-5-8-12)20(24)25-15-11-16(22)21(13-9-6-10-13)19(23)18(14)15/h3-5,7-8,13H,2,6,9-11H2,1H3
InChIKeyOBTDWQLGXSXYDI-UHFFFAOYSA-N
XLogP2.95
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
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-butyl-3-(4-fluorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317202
7-[3-(3-Fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate
CID 162356702
11-[3-(4-Fluorophenyl)-2,6-dioxopyrano[2,3-c]pyridin-7-yl]undecyl 2-methylprop-2-enoate
CID 162356718
11-[3-(4-Fluorophenyl)-2,6-dioxopyrano[2,3-c]pyridin-7-yl]undecyl 2-methylpropanoate
CID 168824192
7-[3-(3-Fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylpropanoate
CID 168824329
4-hydroxy-3-phenyl-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione
CID 54691182
4-(Dimethylamino)-3-phenyl-5,6,7,8-tetrahydrochromen-2-one
CID 13567627
4-(3'-Dibutylaminopropoxy)-3-phenyl-5,6,7,8-tetrahydrocoumarin
CID 23334069
4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187271
4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317109
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 6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317218) is 6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CCc1c2c(oc(=O)c1-c1ccccc1)CC(=O)N(C1CCC1)C2=O.
What is the InChIKey of 6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is OBTDWQLGXSXYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-2-14-17(12-7-4-3-5-8-12)20(24)25-15-11-16(22)21(13-9-6-10-13)19(23)18(14)15/h3-5,7-8,13H,2,6,9-11H2,1H3.
What are the key properties of 6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 337.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).