3-(3-fluorophenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid

C₂₄H₂₅FN₄O₃ — CID 155554134

About 3-(3-fluorophenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid

3-(3-fluorophenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid (PubChem CID 155554134) has the molecular formula C₂₄H₂₅FN₄O₃ and a molecular weight of 436.49 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 3-(3-fluorophenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid
• PubChem CID: 155554134
• Molecular Formula: C₂₄H₂₅FN₄O₃
• Molecular Weight: 436.49 g/mol
• Exact Mass: 436.19
• IUPAC Name: 3-(3-fluorophenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid
• SMILES: O=C(O)CC(Nc1ccc(OCCc2ccc3c(n2)NCCC3)cn1)c1cccc(F)c1
• InChI: InChI=1S/C24H25FN4O3/c25-18-5-1-3-17(13-18)21(14-23(30)31)29-22-9-8-20(15-27-22)32-12-10-19-7-6-16-4-2-11-26-24(16)28-19/h1,3,5-9,13,15,21H,2,4,10-12,14H2,(H,26,28)(H,27,29)(H,30,31)
• InChIKey: ZXOXNDAOKAWEEQ-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 96.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.49
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid?

The IUPAC name of 3-(3-fluorophenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid (CID 155554134) is 3-(3-fluorophenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid.

What is the SMILES notation for 3-(3-fluorophenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid?

The canonical SMILES for 3-(3-fluorophenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid is O=C(O)CC(Nc1ccc(OCCc2ccc3c(n2)NCCC3)cn1)c1cccc(F)c1.

What is the InChIKey of 3-(3-fluorophenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid?

The InChIKey is ZXOXNDAOKAWEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c25-18-5-1-3-17(13-18)21(14-23(30)31)29-22-9-8-20(15-27-22)32-12-10-19-7-6-16-4-2-11-26-24(16)28-19/h1,3,5-9,13,15,21H,2,4,10-12,14H2,(H,26,28)(H,27,29)(H,30,31).

What are the key properties of 3-(3-fluorophenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid?

3-(3-fluorophenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid has a molecular weight of 436.49 g/mol, XLogP of 4.22, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-fluorophenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 155554134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155554134 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.