1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide

C25H42IN5O2 — CID 110060643

About 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide

1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide (PubChem CID 110060643) has the molecular formula C25H42IN5O2 and a molecular weight of 571.55 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide
• PubChem CID: 110060643
• Molecular Formula: C25H42IN5O2
• Molecular Weight: 571.55 g/mol
• Exact Mass: 571.24
• IUPAC Name: 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide
• SMILES: I.c1coc(CCN/C(=N\CCCN2CCOCC2)N2CCC3C(CCCN3C3CC3)C2)c1
• InChI: InChI=1S/C25H41N5O2.HI/c1-4-21-20-29(14-9-24(21)30(13-1)22-6-7-22)25(27-11-8-23-5-2-17-32-23)26-10-3-12-28-15-18-31-19-16-28;/h2,5,17,21-22,24H,1,3-4,6-16,18-20H2,(H,26,27);1H
• InChIKey: DUAUZQQRNQGIJA-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 56.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.55
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide?

The IUPAC name of 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide (CID 110060643) is 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide.

What is the SMILES notation for 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide?

The canonical SMILES for 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide is I.c1coc(CCN/C(=N\CCCN2CCOCC2)N2CCC3C(CCCN3C3CC3)C2)c1.

What is the InChIKey of 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide?

The InChIKey is DUAUZQQRNQGIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O2.HI/c1-4-21-20-29(14-9-24(21)30(13-1)22-6-7-22)25(27-11-8-23-5-2-17-32-23)26-10-3-12-28-15-18-31-19-16-28;/h2,5,17,21-22,24H,1,3-4,6-16,18-20H2,(H,26,27);1H.

What are the key properties of 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide?

1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide has a molecular weight of 571.55 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide is sourced from PubChem (CID 110060643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).