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

C21H21NO4 — CID 58317200

IUPAC4-(2-cyclobutylethyl)-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCc1ccc(-c2c(CCC3CCC3)c3c(oc2=O)CC(=O)NC3=O)cc1
InChIInChI=1S/C21H21NO4/c1-12-5-8-14(9-6-12)18-15(10-7-13-3-2-4-13)19-16(26-21(18)25)11-17(23)22-20(19)24/h5-6,8-9,13H,2-4,7,10-11H2,1H3,(H,22,23,24)
InChIKeyFKUWWQOSIIADAH-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.16
Rot. Bonds4

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

4-(2-cyclobutylethyl)-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317200) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 4-(2-cyclobutylethyl)-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-(2-cyclobutylethyl)-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317200
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name4-(2-cyclobutylethyl)-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCc1ccc(-c2c(CCC3CCC3)c3c(oc2=O)CC(=O)NC3=O)cc1
InChIInChI=1S/C21H21NO4/c1-12-5-8-14(9-6-12)18-15(10-7-13-3-2-4-13)19-16(26-21(18)25)11-17(23)22-20(19)24/h5-6,8-9,13H,2-4,7,10-11H2,1H3,(H,22,23,24)
InChIKeyFKUWWQOSIIADAH-UHFFFAOYSA-N
XLogP3.16
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.16
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-butyl-3-(4-fluorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317202
4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317011
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
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
4-(2-cyclobutylethyl)-3-(4-isocyanophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317161
4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317181
4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317188
4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317198
6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317218

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethyl)-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-(2-cyclobutylethyl)-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317200) is 4-(2-cyclobutylethyl)-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-(2-cyclobutylethyl)-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-(2-cyclobutylethyl)-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is Cc1ccc(-c2c(CCC3CCC3)c3c(oc2=O)CC(=O)NC3=O)cc1.
What is the InChIKey of 4-(2-cyclobutylethyl)-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is FKUWWQOSIIADAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-12-5-8-14(9-6-12)18-15(10-7-13-3-2-4-13)19-16(26-21(18)25)11-17(23)22-20(19)24/h5-6,8-9,13H,2-4,7,10-11H2,1H3,(H,22,23,24).
What are the key properties of 4-(2-cyclobutylethyl)-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-(2-cyclobutylethyl)-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 351.40 g/mol, XLogP of 3.16, 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-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).