6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid

C23H24N2O3 — CID 10022413

IUPAC6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid
SMILESNc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H24N2O3/c24-20-12-10-17(11-13-20)19-15-21(18-7-3-1-4-8-18)25-22(16-19)28-14-6-2-5-9-23(26)27/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14,24H2,(H,26,27)
InChIKeyWZWXQYMNPGQPHX-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.02
Rot. Bonds9

About 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid

6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid (PubChem CID 10022413) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid.

Molecular Properties

Compound Name6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid
PubChem CID10022413
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid
SMILESNc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H24N2O3/c24-20-12-10-17(11-13-20)19-15-21(18-7-3-1-4-8-18)25-22(16-19)28-14-6-2-5-9-23(26)27/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14,24H2,(H,26,27)
InChIKeyWZWXQYMNPGQPHX-UHFFFAOYSA-N
XLogP5.02
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid?
The IUPAC name of 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid (CID 10022413) is 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid.
What is the SMILES notation for 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid?
The canonical SMILES for 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid is Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1.
What is the InChIKey of 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid?
The InChIKey is WZWXQYMNPGQPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c24-20-12-10-17(11-13-20)19-15-21(18-7-3-1-4-8-18)25-22(16-19)28-14-6-2-5-9-23(26)27/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14,24H2,(H,26,27).
What are the key properties of 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid?
6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid has a molecular weight of 376.46 g/mol, XLogP of 5.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid is sourced from PubChem (CID 10022413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).