5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid

C19H19F3N2O4 — CID 120547139

IUPAC5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)c1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O4/c20-19(21,22)12-28-16-11-14(8-9-23-16)18(27)24-15(6-7-17(25)26)10-13-4-2-1-3-5-13/h1-5,8-9,11,15H,6-7,10,12H2,(H,24,27)(H,25,26)
InChIKeyXRWPMCXCYYBMQE-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.23
Rot. Bonds9

About 5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid

5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid (PubChem CID 120547139) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is 5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid
PubChem CID120547139
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC Name5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)c1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O4/c20-19(21,22)12-28-16-11-14(8-9-23-16)18(27)24-15(6-7-17(25)26)10-13-4-2-1-3-5-13/h1-5,8-9,11,15H,6-7,10,12H2,(H,24,27)(H,25,26)
InChIKeyXRWPMCXCYYBMQE-UHFFFAOYSA-N
XLogP3.23
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-4-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pentanoic acid
CID 120547242
4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid
CID 120546950
5-phenyl-4-[[2-(trifluoromethyl)-4-pyridinyl]methylcarbamoylamino]pentanoic acid
CID 122016176
4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120546825
4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
CID 120546799
4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid
CID 120532346
4-[4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]phenoxy]butanoic acid
CID 120530778
3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120531851
2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid
CID 120548662
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 107861142
5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid
CID 120547120
4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid
CID 120518914

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid (CID 120547139) is 5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)c1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of 5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid?
The InChIKey is XRWPMCXCYYBMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c20-19(21,22)12-28-16-11-14(8-9-23-16)18(27)24-15(6-7-17(25)26)10-13-4-2-1-3-5-13/h1-5,8-9,11,15H,6-7,10,12H2,(H,24,27)(H,25,26).
What are the key properties of 5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid?
5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid has a molecular weight of 396.37 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 120547139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).