ethyl 3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate

C26H31N3O3 — CID 54089681

About ethyl 3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate

ethyl 3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate (PubChem CID 54089681) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is ethyl 3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate.

Molecular Properties

• Compound Name: ethyl 3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate
• PubChem CID: 54089681
• Molecular Formula: C26H31N3O3
• Molecular Weight: 433.55 g/mol
• Exact Mass: 433.24
• IUPAC Name: ethyl 3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate
• SMILES: CCOC(=O)CC(C=CCCCCc1ccc2c(n1)NCCC2)c1cnc2occc2c1
• InChI: InChI=1S/C26H31N3O3/c1-2-31-24(30)17-20(22-16-21-13-15-32-26(21)28-18-22)8-5-3-4-6-10-23-12-11-19-9-7-14-27-25(19)29-23/h5,8,11-13,15-16,18,20H,2-4,6-7,9-10,14,17H2,1H3,(H,27,29)
• InChIKey: MSYWDHLNKKJNNY-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.55
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate?

The IUPAC name of ethyl 3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate (CID 54089681) is ethyl 3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate.

What is the SMILES notation for ethyl 3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate?

The canonical SMILES for ethyl 3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate is CCOC(=O)CC(C=CCCCCc1ccc2c(n1)NCCC2)c1cnc2occc2c1.

What is the InChIKey of ethyl 3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate?

The InChIKey is MSYWDHLNKKJNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-2-31-24(30)17-20(22-16-21-13-15-32-26(21)28-18-22)8-5-3-4-6-10-23-12-11-19-9-7-14-27-25(19)29-23/h5,8,11-13,15-16,18,20H,2-4,6-7,9-10,14,17H2,1H3,(H,27,29).

What are the key properties of ethyl 3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate?

ethyl 3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate has a molecular weight of 433.55 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate is sourced from PubChem (CID 54089681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).