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

C24H26N2O3 — CID 10318241

IUPAC6-[[4-[4-(methylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid
SMILESCNc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H26N2O3/c1-25-21-13-11-18(12-14-21)20-16-22(19-8-4-2-5-9-19)26-23(17-20)29-15-7-3-6-10-24(27)28/h2,4-5,8-9,11-14,16-17,25H,3,6-7,10,15H2,1H3,(H,27,28)
InChIKeyPGYDTYLUNVVWMR-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.48
Rot. Bonds10

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

6-[[4-[4-(methylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid (PubChem CID 10318241) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 6-[[4-[4-(methylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid.

Molecular Properties

Compound Name6-[[4-[4-(methylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid
PubChem CID10318241
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name6-[[4-[4-(methylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid
SMILESCNc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H26N2O3/c1-25-21-13-11-18(12-14-21)20-16-22(19-8-4-2-5-9-19)26-23(17-20)29-15-7-3-6-10-24(27)28/h2,4-5,8-9,11-14,16-17,25H,3,6-7,10,15H2,1H3,(H,27,28)
InChIKeyPGYDTYLUNVVWMR-UHFFFAOYSA-N
XLogP5.48
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[4-(methylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid?
The IUPAC name of 6-[[4-[4-(methylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid (CID 10318241) is 6-[[4-[4-(methylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid.
What is the SMILES notation for 6-[[4-[4-(methylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid?
The canonical SMILES for 6-[[4-[4-(methylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid is CNc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1.
What is the InChIKey of 6-[[4-[4-(methylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid?
The InChIKey is PGYDTYLUNVVWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-25-21-13-11-18(12-14-21)20-16-22(19-8-4-2-5-9-19)26-23(17-20)29-15-7-3-6-10-24(27)28/h2,4-5,8-9,11-14,16-17,25H,3,6-7,10,15H2,1H3,(H,27,28).
What are the key properties of 6-[[4-[4-(methylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid?
6-[[4-[4-(methylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid has a molecular weight of 390.48 g/mol, XLogP of 5.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[4-(methylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid is sourced from PubChem (CID 10318241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).