N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

C22H20F3N3O2 — CID 162379727

IUPACN-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)nc1)N(Cc1ccccc1)C[C@@H](O)c1cccnc1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)20-9-8-17(12-27-20)11-21(30)28(14-16-5-2-1-3-6-16)15-19(29)18-7-4-10-26-13-18/h1-10,12-13,19,29H,11,14-15H2/t19-/m1/s1
InChIKeyTVHYPSGEZXSOGK-LJQANCHMSA-N
MW415.42 g/mol
LogP3.80
Rot. Bonds7

About N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 162379727) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID162379727
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC NameN-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)nc1)N(Cc1ccccc1)C[C@@H](O)c1cccnc1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)20-9-8-17(12-27-20)11-21(30)28(14-16-5-2-1-3-6-16)15-19(29)18-7-4-10-26-13-18/h1-10,12-13,19,29H,11,14-15H2/t19-/m1/s1
InChIKeyTVHYPSGEZXSOGK-LJQANCHMSA-N
XLogP3.80
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-hydroxy-3,5-dimethyl-4-(pyridin-2-yl)piperidin-1-yl)methanone
CID 46885815
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-phenylacetamide
CID 46881529
N-cyclobutyl-N-(2-hydroxy-2-pyrazin-2-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379647
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379650
Preparation of N-[(2S)-2-Hydroxy-2-(3-Pyridyl)Ethyl]-N-Propyl-2-[6-(Trifluoromethyl)-3-Pyridyl]Acetamide
CID 162379661
tert-butyl N-[5-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]pentyl]carbamate
CID 162379665
N-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379668
N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379679
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 162379695
5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
CID 162379705
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379713
tert-butyl N-[2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]ethyl]carbamate
CID 162379714

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (CID 162379727) is N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is O=C(Cc1ccc(C(F)(F)F)nc1)N(Cc1ccccc1)C[C@@H](O)c1cccnc1.
What is the InChIKey of N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is TVHYPSGEZXSOGK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)20-9-8-17(12-27-20)11-21(30)28(14-16-5-2-1-3-6-16)15-19(29)18-7-4-10-26-13-18/h1-10,12-13,19,29H,11,14-15H2/t19-/m1/s1.
What are the key properties of N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 415.42 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 162379727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).