N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide

C₃₀H₂₅F₂N₅O₃ — CID 155516460

About N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide

N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide (PubChem CID 155516460) has the molecular formula C₃₀H₂₅F₂N₅O₃ and a molecular weight of 541.56 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide.

Molecular Properties

• Compound Name: N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide
• PubChem CID: 155516460
• Molecular Formula: C₃₀H₂₅F₂N₅O₃
• Molecular Weight: 541.56 g/mol
• Exact Mass: 541.19
• IUPAC Name: N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide
• SMILES: CCCCC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
• InChI: InChI=1S/C30H25F2N5O3/c1-2-3-4-27(38)37-26-16-21(11-13-33-26)40-25-10-9-20(15-23(25)32)36-30-28-24(12-14-34-30)35-17-22(29(28)39)18-5-7-19(31)8-6-18/h5-17H,2-4H2,1H3,(H,34,36)(H,35,39)(H,33,37,38)
• InChIKey: ZQWLWUNEDJXZGN-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 109.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.56
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide?

The IUPAC name of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide (CID 155516460) is N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide.

What is the SMILES notation for N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide?

The canonical SMILES for N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide is CCCCC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1.

What is the InChIKey of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide?

The InChIKey is ZQWLWUNEDJXZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F2N5O3/c1-2-3-4-27(38)37-26-16-21(11-13-33-26)40-25-10-9-20(15-23(25)32)36-30-28-24(12-14-34-30)35-17-22(29(28)39)18-5-7-19(31)8-6-18/h5-17H,2-4H2,1H3,(H,34,36)(H,35,39)(H,33,37,38).

What are the key properties of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide?

N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide has a molecular weight of 541.56 g/mol, XLogP of 6.93, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide is sourced from PubChem (CID 155516460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155516460 — identifiers, structure, computed properties (public domain)

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