3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one

C20H33FN4O — CID 174152834

About 3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one

3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one (PubChem CID 174152834) has the molecular formula C20H33FN4O and a molecular weight of 364.51 g/mol. Its IUPAC name is 3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one.

Molecular Properties

• Compound Name: 3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one
• PubChem CID: 174152834
• Molecular Formula: C20H33FN4O
• Molecular Weight: 364.51 g/mol
• Exact Mass: 364.26
• IUPAC Name: 3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one
• SMILES: CC(=O)C(N)CCN(CCCF)CCCCc1ccc2c(n1)NCCC2
• InChI: InChI=1S/C20H33FN4O/c1-16(26)19(22)10-15-25(14-5-11-21)13-3-2-7-18-9-8-17-6-4-12-23-20(17)24-18/h8-9,19H,2-7,10-15,22H2,1H3,(H,23,24)
• InChIKey: YBFODZOXAWEURN-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 71.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.51
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one?

The IUPAC name of 3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one (CID 174152834) is 3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one.

What is the SMILES notation for 3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one?

The canonical SMILES for 3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one is CC(=O)C(N)CCN(CCCF)CCCCc1ccc2c(n1)NCCC2.

What is the InChIKey of 3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one?

The InChIKey is YBFODZOXAWEURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FN4O/c1-16(26)19(22)10-15-25(14-5-11-21)13-3-2-7-18-9-8-17-6-4-12-23-20(17)24-18/h8-9,19H,2-7,10-15,22H2,1H3,(H,23,24).

What are the key properties of 3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one?

3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one has a molecular weight of 364.51 g/mol, XLogP of 2.73, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one is sourced from PubChem (CID 174152834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).