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

C18H17NO4 — CID 58317137

IUPAC4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCCCc1c2c(oc(=O)c1-c1ccccc1)CC(=O)NC2=O
InChIInChI=1S/C18H17NO4/c1-2-3-9-12-15(11-7-5-4-6-8-11)18(22)23-13-10-14(20)19-17(21)16(12)13/h4-8H,2-3,9-10H2,1H3,(H,19,20,21)
InChIKeyHJZWLMZOHSTJMR-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.46
Rot. Bonds4

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

4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317137) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317137
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCCCc1c2c(oc(=O)c1-c1ccccc1)CC(=O)NC2=O
InChIInChI=1S/C18H17NO4/c1-2-3-9-12-15(11-7-5-4-6-8-11)18(22)23-13-10-14(20)19-17(21)16(12)13/h4-8H,2-3,9-10H2,1H3,(H,19,20,21)
InChIKeyHJZWLMZOHSTJMR-UHFFFAOYSA-N
XLogP2.46
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-butyl-3-phenyl-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-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
pentyl (E)-4-oxo-4-[(2-phenylacetyl)amino]but-2-enoate
CID 10470230
5-O-ethyl 3-O-methyl 2-oxo-4-phenyl-6-propyl-1H-pyridine-3,5-dicarboxylate
CID 23352074
4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187271
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
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

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317137) is 4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CCCCc1c2c(oc(=O)c1-c1ccccc1)CC(=O)NC2=O.
What is the InChIKey of 4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is HJZWLMZOHSTJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-2-3-9-12-15(11-7-5-4-6-8-11)18(22)23-13-10-14(20)19-17(21)16(12)13/h4-8H,2-3,9-10H2,1H3,(H,19,20,21).
What are the key properties of 4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 311.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).