6-[2-(4-fluorophenoxy)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine

C25H27FN4O3 — CID 66683632

IUPAC6-[2-(4-fluorophenoxy)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
SMILESCc1cccc(C=NNc2cc(N3CCOCC3)cc(OCCOc3ccc(F)cc3)n2)c1
InChIInChI=1S/C25H27FN4O3/c1-19-3-2-4-20(15-19)18-27-29-24-16-22(30-9-11-31-12-10-30)17-25(28-24)33-14-13-32-23-7-5-21(26)6-8-23/h2-8,15-18H,9-14H2,1H3,(H,28,29)
InChIKeySCBXOMBATQNMMS-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.27
Rot. Bonds9

About 6-[2-(4-fluorophenoxy)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine

6-[2-(4-fluorophenoxy)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine (PubChem CID 66683632) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is 6-[2-(4-fluorophenoxy)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-(4-fluorophenoxy)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
PubChem CID66683632
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC Name6-[2-(4-fluorophenoxy)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
SMILESCc1cccc(C=NNc2cc(N3CCOCC3)cc(OCCOc3ccc(F)cc3)n2)c1
InChIInChI=1S/C25H27FN4O3/c1-19-3-2-4-20(15-19)18-27-29-24-16-22(30-9-11-31-12-10-30)17-25(28-24)33-14-13-32-23-7-5-21(26)6-8-23/h2-8,15-18H,9-14H2,1H3,(H,28,29)
InChIKeySCBXOMBATQNMMS-UHFFFAOYSA-N
XLogP4.27
TPSA68.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

Analyze 6-[2-(4-fluorophenoxy)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenoxy)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine?
The IUPAC name of 6-[2-(4-fluorophenoxy)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine (CID 66683632) is 6-[2-(4-fluorophenoxy)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for 6-[2-(4-fluorophenoxy)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for 6-[2-(4-fluorophenoxy)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine is Cc1cccc(C=NNc2cc(N3CCOCC3)cc(OCCOc3ccc(F)cc3)n2)c1.
What is the InChIKey of 6-[2-(4-fluorophenoxy)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine?
The InChIKey is SCBXOMBATQNMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-19-3-2-4-20(15-19)18-27-29-24-16-22(30-9-11-31-12-10-30)17-25(28-24)33-14-13-32-23-7-5-21(26)6-8-23/h2-8,15-18H,9-14H2,1H3,(H,28,29).
What are the key properties of 6-[2-(4-fluorophenoxy)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine?
6-[2-(4-fluorophenoxy)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine has a molecular weight of 450.51 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenoxy)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 66683632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).