6-[[6-phenyl-4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-pyridinyl]oxy]hexanoic acid

C25H23F3N2O4 — CID 10390056

IUPAC6-[[6-phenyl-4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-pyridinyl]oxy]hexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C25H23F3N2O4/c26-25(27,28)24(33)29-20-12-10-17(11-13-20)19-15-21(18-7-3-1-4-8-18)30-22(16-19)34-14-6-2-5-9-23(31)32/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14H2,(H,29,33)(H,31,32)
InChIKeyDATRLPAIFYGEBS-UHFFFAOYSA-N
MW472.46 g/mol
LogP5.94
Rot. Bonds10

About 6-[[6-phenyl-4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-pyridinyl]oxy]hexanoic acid

6-[[6-phenyl-4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-pyridinyl]oxy]hexanoic acid (PubChem CID 10390056) has the molecular formula C25H23F3N2O4 and a molecular weight of 472.46 g/mol. Its IUPAC name is 6-[[6-phenyl-4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-pyridinyl]oxy]hexanoic acid.

Molecular Properties

Compound Name6-[[6-phenyl-4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-pyridinyl]oxy]hexanoic acid
PubChem CID10390056
Molecular FormulaC25H23F3N2O4
Molecular Weight472.46 g/mol
Exact Mass472.16
IUPAC Name6-[[6-phenyl-4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-pyridinyl]oxy]hexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C25H23F3N2O4/c26-25(27,28)24(33)29-20-12-10-17(11-13-20)19-15-21(18-7-3-1-4-8-18)30-22(16-19)34-14-6-2-5-9-23(31)32/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14H2,(H,29,33)(H,31,32)
InChIKeyDATRLPAIFYGEBS-UHFFFAOYSA-N
XLogP5.94
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.46
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[[6-phenyl-4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-pyridinyl]oxy]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(cyclohexylmethoxy)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 58873252
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-phenylmethoxy-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 58873550
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethoxy)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 58873642
Picoxystrobin metabolite 2
CID 139597010
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 71698889
N-[[2-[(3,5-difluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 71698979
6-(4,6-Diphenyl-pyridin-2-yloxy)-2-methyl-hexanoic acid
CID 9976757
6-[4-(4-Amino-phenyl)-quinolin-2-yloxy]-2,2-dimethyl-hexanoic acid
CID 9999718
6-[4-(2-Fluoro-phenyl)-6-phenyl-pyridin-2-yloxy]-hexanoic acid
CID 9999755
6-[(4-Phenyl-2-quinolyl)oxy]hexanoic acid
CID 10019853
6-{[4-(4-Aminophenyl)-6-phenyl-2-pyridyl]oxy}hexanoic acid
CID 10022413
2,2-Dimethyl-6-[(4,6-diphenyl-2-pyridyl)oxy]hexanoic acid
CID 10023244

Frequently Asked Questions

What is the IUPAC name of 6-[[6-phenyl-4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-pyridinyl]oxy]hexanoic acid?
The IUPAC name of 6-[[6-phenyl-4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-pyridinyl]oxy]hexanoic acid (CID 10390056) is 6-[[6-phenyl-4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-pyridinyl]oxy]hexanoic acid.
What is the SMILES notation for 6-[[6-phenyl-4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-pyridinyl]oxy]hexanoic acid?
The canonical SMILES for 6-[[6-phenyl-4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-pyridinyl]oxy]hexanoic acid is O=C(O)CCCCCOc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)cc(-c2ccccc2)n1.
What is the InChIKey of 6-[[6-phenyl-4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-pyridinyl]oxy]hexanoic acid?
The InChIKey is DATRLPAIFYGEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O4/c26-25(27,28)24(33)29-20-12-10-17(11-13-20)19-15-21(18-7-3-1-4-8-18)30-22(16-19)34-14-6-2-5-9-23(31)32/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14H2,(H,29,33)(H,31,32).
What are the key properties of 6-[[6-phenyl-4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-pyridinyl]oxy]hexanoic acid?
6-[[6-phenyl-4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-pyridinyl]oxy]hexanoic acid has a molecular weight of 472.46 g/mol, XLogP of 5.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-phenyl-4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-pyridinyl]oxy]hexanoic acid is sourced from PubChem (CID 10390056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).