N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine

C23H24N4O2 — CID 59673970

IUPACN-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(Oc3ccccc3)n2)c1
InChIInChI=1S/C23H24N4O2/c1-18-6-5-7-19(14-18)17-24-26-22-15-20(27-10-12-28-13-11-27)16-23(25-22)29-21-8-3-2-4-9-21/h2-9,14-17H,10-13H2,1H3,(H,25,26)/b24-17+
InChIKeyPIWWIQBMWIEPOP-JJIBRWJFSA-N
MW388.47 g/mol
LogP4.46
Rot. Bonds6

About N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine

N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine (PubChem CID 59673970) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine
PubChem CID59673970
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(Oc3ccccc3)n2)c1
InChIInChI=1S/C23H24N4O2/c1-18-6-5-7-19(14-18)17-24-26-22-15-20(27-10-12-28-13-11-27)16-23(25-22)29-21-8-3-2-4-9-21/h2-9,14-17H,10-13H2,1H3,(H,25,26)/b24-17+
InChIKeyPIWWIQBMWIEPOP-JJIBRWJFSA-N
XLogP4.46
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine?
The IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine (CID 59673970) is N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine.
What is the SMILES notation for N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine?
The canonical SMILES for N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine is Cc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(Oc3ccccc3)n2)c1.
What is the InChIKey of N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine?
The InChIKey is PIWWIQBMWIEPOP-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-18-6-5-7-19(14-18)17-24-26-22-15-20(27-10-12-28-13-11-27)16-23(25-22)29-21-8-3-2-4-9-21/h2-9,14-17H,10-13H2,1H3,(H,25,26)/b24-17+.
What are the key properties of N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine?
N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine has a molecular weight of 388.47 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine is sourced from PubChem (CID 59673970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).