6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine

C26H32FN5O2 — CID 89331892

About 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine

6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine (PubChem CID 89331892) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine.

Molecular Properties

• Compound Name: 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine
• PubChem CID: 89331892
• Molecular Formula: C26H32FN5O2
• Molecular Weight: 465.57 g/mol
• Exact Mass: 465.25
• IUPAC Name: 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine
• SMILES: CCCN(CCC)c1cc(N/N=C/c2cccc(C)c2)nc(OCCOc2ccc(F)cn2)c1
• InChI: InChI=1S/C26H32FN5O2/c1-4-11-32(12-5-2)23-16-24(31-29-18-21-8-6-7-20(3)15-21)30-26(17-23)34-14-13-33-25-10-9-22(27)19-28-25/h6-10,15-19H,4-5,11-14H2,1-3H3,(H,30,31)/b29-18+
• InChIKey: WSQYEGJEUZXFFJ-RDRPBHBLSA-N
• XLogP: 5.45
• TPSA: 71.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.57
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine?

The IUPAC name of 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine (CID 89331892) is 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine.

What is the SMILES notation for 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine?

The canonical SMILES for 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine is CCCN(CCC)c1cc(N/N=C/c2cccc(C)c2)nc(OCCOc2ccc(F)cn2)c1.

What is the InChIKey of 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine?

The InChIKey is WSQYEGJEUZXFFJ-RDRPBHBLSA-N. The full InChI is InChI=1S/C26H32FN5O2/c1-4-11-32(12-5-2)23-16-24(31-29-18-21-8-6-7-20(3)15-21)30-26(17-23)34-14-13-33-25-10-9-22(27)19-28-25/h6-10,15-19H,4-5,11-14H2,1-3H3,(H,30,31)/b29-18+.

What are the key properties of 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine?

6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine has a molecular weight of 465.57 g/mol, XLogP of 5.45, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine is sourced from PubChem (CID 89331892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).