8-[2-oxo-3-(2-propylphenyl)pyrano[2,3-b]pyridin-6-yl]oxyoctyl propanoate

C28H35NO5 — CID 168824344

IUPAC8-[2-oxo-3-(2-propylphenyl)pyrano[2,3-b]pyridin-6-yl]oxyoctyl propanoate
SMILESCCCc1ccccc1-c1cc2cc(OCCCCCCCCOC(=O)CC)cnc2oc1=O
InChIInChI=1S/C28H35NO5/c1-3-13-21-14-9-10-15-24(21)25-19-22-18-23(20-29-27(22)34-28(25)31)32-16-11-7-5-6-8-12-17-33-26(30)4-2/h9-10,14-15,18-20H,3-8,11-13,16-17H2,1-2H3
InChIKeyPCNIBPJENMQUAZ-UHFFFAOYSA-N
MW465.59 g/mol
LogP6.48
Rot. Bonds14

About 8-[2-oxo-3-(2-propylphenyl)pyrano[2,3-b]pyridin-6-yl]oxyoctyl propanoate

8-[2-oxo-3-(2-propylphenyl)pyrano[2,3-b]pyridin-6-yl]oxyoctyl propanoate (PubChem CID 168824344) has the molecular formula C28H35NO5 and a molecular weight of 465.59 g/mol. Its IUPAC name is 8-[2-oxo-3-(2-propylphenyl)pyrano[2,3-b]pyridin-6-yl]oxyoctyl propanoate.

Molecular Properties

Compound Name8-[2-oxo-3-(2-propylphenyl)pyrano[2,3-b]pyridin-6-yl]oxyoctyl propanoate
PubChem CID168824344
Molecular FormulaC28H35NO5
Molecular Weight465.59 g/mol
Exact Mass465.25
IUPAC Name8-[2-oxo-3-(2-propylphenyl)pyrano[2,3-b]pyridin-6-yl]oxyoctyl propanoate
SMILESCCCc1ccccc1-c1cc2cc(OCCCCCCCCOC(=O)CC)cnc2oc1=O
InChIInChI=1S/C28H35NO5/c1-3-13-21-14-9-10-15-24(21)25-19-22-18-23(20-29-27(22)34-28(25)31)32-16-11-7-5-6-8-12-17-33-26(30)4-2/h9-10,14-15,18-20H,3-8,11-13,16-17H2,1-2H3
InChIKeyPCNIBPJENMQUAZ-UHFFFAOYSA-N
XLogP6.48
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.59
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[2-oxo-3-(2-propylphenyl)pyrano[2,3-b]pyridin-6-yl]oxyoctyl propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[2-oxo-3-(2-propylphenyl)pyrano[2,3-b]pyridin-6-yl]oxyoctyl propanoate?
The IUPAC name of 8-[2-oxo-3-(2-propylphenyl)pyrano[2,3-b]pyridin-6-yl]oxyoctyl propanoate (CID 168824344) is 8-[2-oxo-3-(2-propylphenyl)pyrano[2,3-b]pyridin-6-yl]oxyoctyl propanoate.
What is the SMILES notation for 8-[2-oxo-3-(2-propylphenyl)pyrano[2,3-b]pyridin-6-yl]oxyoctyl propanoate?
The canonical SMILES for 8-[2-oxo-3-(2-propylphenyl)pyrano[2,3-b]pyridin-6-yl]oxyoctyl propanoate is CCCc1ccccc1-c1cc2cc(OCCCCCCCCOC(=O)CC)cnc2oc1=O.
What is the InChIKey of 8-[2-oxo-3-(2-propylphenyl)pyrano[2,3-b]pyridin-6-yl]oxyoctyl propanoate?
The InChIKey is PCNIBPJENMQUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO5/c1-3-13-21-14-9-10-15-24(21)25-19-22-18-23(20-29-27(22)34-28(25)31)32-16-11-7-5-6-8-12-17-33-26(30)4-2/h9-10,14-15,18-20H,3-8,11-13,16-17H2,1-2H3.
What are the key properties of 8-[2-oxo-3-(2-propylphenyl)pyrano[2,3-b]pyridin-6-yl]oxyoctyl propanoate?
8-[2-oxo-3-(2-propylphenyl)pyrano[2,3-b]pyridin-6-yl]oxyoctyl propanoate has a molecular weight of 465.59 g/mol, XLogP of 6.48, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-oxo-3-(2-propylphenyl)pyrano[2,3-b]pyridin-6-yl]oxyoctyl propanoate is sourced from PubChem (CID 168824344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).