6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine

C25H36N6O2 — CID 66682225

IUPAC6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
SMILESCCN1CCN(CCOc2cc(N3CCOCC3)cc(NN=Cc3cccc(C)c3)n2)CC1
InChIInChI=1S/C25H36N6O2/c1-3-29-7-9-30(10-8-29)11-16-33-25-19-23(31-12-14-32-15-13-31)18-24(27-25)28-26-20-22-6-4-5-21(2)17-22/h4-6,17-20H,3,7-16H2,1-2H3,(H,27,28)
InChIKeyUGKHXHHRJPOYKX-UHFFFAOYSA-N
MW452.60 g/mol
LogP2.69
Rot. Bonds9

About 6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine

6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine (PubChem CID 66682225) has the molecular formula C25H36N6O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
PubChem CID66682225
Molecular FormulaC25H36N6O2
Molecular Weight452.60 g/mol
Exact Mass452.29
IUPAC Name6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
SMILESCCN1CCN(CCOc2cc(N3CCOCC3)cc(NN=Cc3cccc(C)c3)n2)CC1
InChIInChI=1S/C25H36N6O2/c1-3-29-7-9-30(10-8-29)11-16-33-25-19-23(31-12-14-32-15-13-31)18-24(27-25)28-26-20-22-6-4-5-21(2)17-22/h4-6,17-20H,3,7-16H2,1-2H3,(H,27,28)
InChIKeyUGKHXHHRJPOYKX-UHFFFAOYSA-N
XLogP2.69
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine?
The IUPAC name of 6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine (CID 66682225) is 6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for 6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for 6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine is CCN1CCN(CCOc2cc(N3CCOCC3)cc(NN=Cc3cccc(C)c3)n2)CC1.
What is the InChIKey of 6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine?
The InChIKey is UGKHXHHRJPOYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O2/c1-3-29-7-9-30(10-8-29)11-16-33-25-19-23(31-12-14-32-15-13-31)18-24(27-25)28-26-20-22-6-4-5-21(2)17-22/h4-6,17-20H,3,7-16H2,1-2H3,(H,27,28).
What are the key properties of 6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine?
6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine has a molecular weight of 452.60 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 66682225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).