4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C15H19NO4 — CID 58187734

IUPAC4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCCCc1cc(=O)oc2c1C(=O)N(CCC)C(=O)C2
InChIInChI=1S/C15H19NO4/c1-3-5-6-10-8-13(18)20-11-9-12(17)16(7-4-2)15(19)14(10)11/h8H,3-7,9H2,1-2H3
InChIKeyAPBFBACAPUSJPI-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.92
Rot. Bonds5

About 4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58187734) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58187734
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCCCc1cc(=O)oc2c1C(=O)N(CCC)C(=O)C2
InChIInChI=1S/C15H19NO4/c1-3-5-6-10-8-13(18)20-11-9-12(17)16(7-4-2)15(19)14(10)11/h8H,3-7,9H2,1-2H3
InChIKeyAPBFBACAPUSJPI-UHFFFAOYSA-N
XLogP1.92
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-butyl-6-propyl-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

4,6-diethyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187566
4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187502
4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187698
4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one
CID 58187701
ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate
CID 58455620
5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione
CID 58187634
4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317155
1-pentylazetidine-2,4-dione
CID 69124184
4-butyl-6-methylchromen-2-one
CID 6613364
4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317151
4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187460
1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione
CID 118343384

Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58187734) is 4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CCCCc1cc(=O)oc2c1C(=O)N(CCC)C(=O)C2.
What is the InChIKey of 4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is APBFBACAPUSJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-5-6-10-8-13(18)20-11-9-12(17)16(7-4-2)15(19)14(10)11/h8H,3-7,9H2,1-2H3.
What are the key properties of 4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 277.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58187734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).