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

C19H19NO4 — CID 58317253

IUPAC4-butyl-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCCCc1c2c(oc(=O)c1-c1ccc(C)cc1)CC(=O)NC2=O
InChIInChI=1S/C19H19NO4/c1-3-4-5-13-16(12-8-6-11(2)7-9-12)19(23)24-14-10-15(21)20-18(22)17(13)14/h6-9H,3-5,10H2,1-2H3,(H,20,21,22)
InChIKeyAYKVOYNMLLLCDV-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.77
Rot. Bonds4

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

4-butyl-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317253) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-butyl-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-butyl-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317253
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name4-butyl-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCCCc1c2c(oc(=O)c1-c1ccc(C)cc1)CC(=O)NC2=O
InChIInChI=1S/C19H19NO4/c1-3-4-5-13-16(12-8-6-11(2)7-9-12)19(23)24-14-10-15(21)20-18(22)17(13)14/h6-9H,3-5,10H2,1-2H3,(H,20,21,22)
InChIKeyAYKVOYNMLLLCDV-UHFFFAOYSA-N
XLogP2.77
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.77
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-[[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
2-[4-(2,5-Dioxopyrrol-3-yl)phenyl]ethyl 2-methylprop-2-enoate
CID 53651536
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
4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317129

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-butyl-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317253) is 4-butyl-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-butyl-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-butyl-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CCCCc1c2c(oc(=O)c1-c1ccc(C)cc1)CC(=O)NC2=O.
What is the InChIKey of 4-butyl-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is AYKVOYNMLLLCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-4-5-13-16(12-8-6-11(2)7-9-12)19(23)24-14-10-15(21)20-18(22)17(13)14/h6-9H,3-5,10H2,1-2H3,(H,20,21,22).
What are the key properties of 4-butyl-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-butyl-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 325.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).