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

C25H28N2O3 — CID 10024190

IUPAC6-[[4-[4-(dimethylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid
SMILESCN(C)c1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C25H28N2O3/c1-27(2)22-14-12-19(13-15-22)21-17-23(20-9-5-3-6-10-20)26-24(18-21)30-16-8-4-7-11-25(28)29/h3,5-6,9-10,12-15,17-18H,4,7-8,11,16H2,1-2H3,(H,28,29)
InChIKeyVKRCVSSFTWNCBX-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.51
Rot. Bonds10

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

6-[[4-[4-(dimethylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid (PubChem CID 10024190) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 6-[[4-[4-(dimethylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid.

Molecular Properties

Compound Name6-[[4-[4-(dimethylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid
PubChem CID10024190
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name6-[[4-[4-(dimethylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid
SMILESCN(C)c1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C25H28N2O3/c1-27(2)22-14-12-19(13-15-22)21-17-23(20-9-5-3-6-10-20)26-24(18-21)30-16-8-4-7-11-25(28)29/h3,5-6,9-10,12-15,17-18H,4,7-8,11,16H2,1-2H3,(H,28,29)
InChIKeyVKRCVSSFTWNCBX-UHFFFAOYSA-N
XLogP5.51
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.51
H-Bond Donors ≤ 51
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-(dimethylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid?
The IUPAC name of 6-[[4-[4-(dimethylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid (CID 10024190) is 6-[[4-[4-(dimethylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid.
What is the SMILES notation for 6-[[4-[4-(dimethylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid?
The canonical SMILES for 6-[[4-[4-(dimethylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid is CN(C)c1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1.
What is the InChIKey of 6-[[4-[4-(dimethylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid?
The InChIKey is VKRCVSSFTWNCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-27(2)22-14-12-19(13-15-22)21-17-23(20-9-5-3-6-10-20)26-24(18-21)30-16-8-4-7-11-25(28)29/h3,5-6,9-10,12-15,17-18H,4,7-8,11,16H2,1-2H3,(H,28,29).
What are the key properties of 6-[[4-[4-(dimethylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid?
6-[[4-[4-(dimethylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid has a molecular weight of 404.51 g/mol, XLogP of 5.51, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[4-(dimethylamino)phenyl]-6-phenyl-2-pyridinyl]oxy]hexanoic acid is sourced from PubChem (CID 10024190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).