2-[[3-methoxy-4-[[5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-pyridinyl]oxy]phenyl]methyl]butanoic acid

C26H27F3N2O4 — CID 69205284

IUPAC2-[[3-methoxy-4-[[5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-pyridinyl]oxy]phenyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(Oc2ccc(N(C)Cc3ccc(C(F)(F)F)cc3)cn2)c(OC)c1)C(=O)O
InChIInChI=1S/C26H27F3N2O4/c1-4-19(25(32)33)13-18-7-11-22(23(14-18)34-3)35-24-12-10-21(15-30-24)31(2)16-17-5-8-20(9-6-17)26(27,28)29/h5-12,14-15,19H,4,13,16H2,1-3H3,(H,32,33)
InChIKeyAWHLGSJMCFPCDY-UHFFFAOYSA-N
MW488.51 g/mol
LogP6.19
Rot. Bonds10

About 2-[[3-methoxy-4-[[5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-pyridinyl]oxy]phenyl]methyl]butanoic acid

2-[[3-methoxy-4-[[5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-pyridinyl]oxy]phenyl]methyl]butanoic acid (PubChem CID 69205284) has the molecular formula C26H27F3N2O4 and a molecular weight of 488.51 g/mol. Its IUPAC name is 2-[[3-methoxy-4-[[5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-pyridinyl]oxy]phenyl]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[3-methoxy-4-[[5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-pyridinyl]oxy]phenyl]methyl]butanoic acid
PubChem CID69205284
Molecular FormulaC26H27F3N2O4
Molecular Weight488.51 g/mol
Exact Mass488.19
IUPAC Name2-[[3-methoxy-4-[[5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-pyridinyl]oxy]phenyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(Oc2ccc(N(C)Cc3ccc(C(F)(F)F)cc3)cn2)c(OC)c1)C(=O)O
InChIInChI=1S/C26H27F3N2O4/c1-4-19(25(32)33)13-18-7-11-22(23(14-18)34-3)35-24-12-10-21(15-30-24)31(2)16-17-5-8-20(9-6-17)26(27,28)29/h5-12,14-15,19H,4,13,16H2,1-3H3,(H,32,33)
InChIKeyAWHLGSJMCFPCDY-UHFFFAOYSA-N
XLogP6.19
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.51
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-methoxy-4-[[5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-pyridinyl]oxy]phenyl]methyl]butanoic acid with MolForge

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Related Compounds

2-[[4-methoxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methylamino]phenyl]methyl]butanoic acid
CID 151797621
2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoic acid
CID 21120243
2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid
CID 22494205
6-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 134031313
2-[(3-tert-butyl-4-methoxyphenyl)methyl]butanoic acid
CID 116930605
2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid
CID 175151387
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802
(2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 10693323
5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189239
3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde
CID 39860875
2-hexoxy-3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid
CID 139894771
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide
CID 4235664

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-4-[[5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-pyridinyl]oxy]phenyl]methyl]butanoic acid?
The IUPAC name of 2-[[3-methoxy-4-[[5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-pyridinyl]oxy]phenyl]methyl]butanoic acid (CID 69205284) is 2-[[3-methoxy-4-[[5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-pyridinyl]oxy]phenyl]methyl]butanoic acid.
What is the SMILES notation for 2-[[3-methoxy-4-[[5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-pyridinyl]oxy]phenyl]methyl]butanoic acid?
The canonical SMILES for 2-[[3-methoxy-4-[[5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-pyridinyl]oxy]phenyl]methyl]butanoic acid is CCC(Cc1ccc(Oc2ccc(N(C)Cc3ccc(C(F)(F)F)cc3)cn2)c(OC)c1)C(=O)O.
What is the InChIKey of 2-[[3-methoxy-4-[[5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-pyridinyl]oxy]phenyl]methyl]butanoic acid?
The InChIKey is AWHLGSJMCFPCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O4/c1-4-19(25(32)33)13-18-7-11-22(23(14-18)34-3)35-24-12-10-21(15-30-24)31(2)16-17-5-8-20(9-6-17)26(27,28)29/h5-12,14-15,19H,4,13,16H2,1-3H3,(H,32,33).
What are the key properties of 2-[[3-methoxy-4-[[5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-pyridinyl]oxy]phenyl]methyl]butanoic acid?
2-[[3-methoxy-4-[[5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-pyridinyl]oxy]phenyl]methyl]butanoic acid has a molecular weight of 488.51 g/mol, XLogP of 6.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-4-[[5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-pyridinyl]oxy]phenyl]methyl]butanoic acid is sourced from PubChem (CID 69205284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).