4-[[1-(4-aminophenoxy)-2H-pyridin-3-yl]oxy]aniline

C17H17N3O2 — CID 21293875

IUPAC4-[[1-(4-aminophenoxy)-2H-pyridin-3-yl]oxy]aniline
SMILESNc1ccc(OC2=CC=CN(Oc3ccc(N)cc3)C2)cc1
InChIInChI=1S/C17H17N3O2/c18-13-3-7-15(8-4-13)21-17-2-1-11-20(12-17)22-16-9-5-14(19)6-10-16/h1-11H,12,18-19H2
InChIKeyLEFCSINSSCDVGO-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.94
Rot. Bonds4

About 4-[[1-(4-aminophenoxy)-2H-pyridin-3-yl]oxy]aniline

4-[[1-(4-aminophenoxy)-2H-pyridin-3-yl]oxy]aniline (PubChem CID 21293875) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[[1-(4-aminophenoxy)-2H-pyridin-3-yl]oxy]aniline.

Molecular Properties

Compound Name4-[[1-(4-aminophenoxy)-2H-pyridin-3-yl]oxy]aniline
PubChem CID21293875
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-[[1-(4-aminophenoxy)-2H-pyridin-3-yl]oxy]aniline
SMILESNc1ccc(OC2=CC=CN(Oc3ccc(N)cc3)C2)cc1
InChIInChI=1S/C17H17N3O2/c18-13-3-7-15(8-4-13)21-17-2-1-11-20(12-17)22-16-9-5-14(19)6-10-16/h1-11H,12,18-19H2
InChIKeyLEFCSINSSCDVGO-UHFFFAOYSA-N
XLogP2.94
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-aminophenoxy)-2H-pyridin-3-yl]oxy]aniline?
The IUPAC name of 4-[[1-(4-aminophenoxy)-2H-pyridin-3-yl]oxy]aniline (CID 21293875) is 4-[[1-(4-aminophenoxy)-2H-pyridin-3-yl]oxy]aniline.
What is the SMILES notation for 4-[[1-(4-aminophenoxy)-2H-pyridin-3-yl]oxy]aniline?
The canonical SMILES for 4-[[1-(4-aminophenoxy)-2H-pyridin-3-yl]oxy]aniline is Nc1ccc(OC2=CC=CN(Oc3ccc(N)cc3)C2)cc1.
What is the InChIKey of 4-[[1-(4-aminophenoxy)-2H-pyridin-3-yl]oxy]aniline?
The InChIKey is LEFCSINSSCDVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c18-13-3-7-15(8-4-13)21-17-2-1-11-20(12-17)22-16-9-5-14(19)6-10-16/h1-11H,12,18-19H2.
What are the key properties of 4-[[1-(4-aminophenoxy)-2H-pyridin-3-yl]oxy]aniline?
4-[[1-(4-aminophenoxy)-2H-pyridin-3-yl]oxy]aniline has a molecular weight of 295.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-aminophenoxy)-2H-pyridin-3-yl]oxy]aniline is sourced from PubChem (CID 21293875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).