6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine

C24H26FN5O3 — CID 59673927

IUPAC6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(OCCOc3ccc(F)cn3)n2)c1
InChIInChI=1S/C24H26FN5O3/c1-18-3-2-4-19(13-18)16-27-29-22-14-21(30-7-9-31-10-8-30)15-24(28-22)33-12-11-32-23-6-5-20(25)17-26-23/h2-6,13-17H,7-12H2,1H3,(H,28,29)/b27-16+
InChIKeyJFFVFRAQUCHCBU-JVWAILMASA-N
MW451.50 g/mol
LogP3.66
Rot. Bonds9

About 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine

6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine (PubChem CID 59673927) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
PubChem CID59673927
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(OCCOc3ccc(F)cn3)n2)c1
InChIInChI=1S/C24H26FN5O3/c1-18-3-2-4-19(13-18)16-27-29-22-14-21(30-7-9-31-10-8-30)15-24(28-22)33-12-11-32-23-6-5-20(25)17-26-23/h2-6,13-17H,7-12H2,1H3,(H,28,29)/b27-16+
InChIKeyJFFVFRAQUCHCBU-JVWAILMASA-N
XLogP3.66
TPSA81.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine?
The IUPAC name of 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine (CID 59673927) is 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine is Cc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(OCCOc3ccc(F)cn3)n2)c1.
What is the InChIKey of 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine?
The InChIKey is JFFVFRAQUCHCBU-JVWAILMASA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-18-3-2-4-19(13-18)16-27-29-22-14-21(30-7-9-31-10-8-30)15-24(28-22)33-12-11-32-23-6-5-20(25)17-26-23/h2-6,13-17H,7-12H2,1H3,(H,28,29)/b27-16+.
What are the key properties of 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine?
6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine has a molecular weight of 451.50 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 59673927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).