N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide

C18H20F3N3O2 — CID 162379695

IUPACN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H20F3N3O2/c1-2-8-24(12-16(25)13-4-3-7-22-10-13)17(26)9-15-6-5-14(11-23-15)18(19,20)21/h3-7,10-11,16,25H,2,8-9,12H2,1H3/t16-/m1/s1
InChIKeyZAXJPNVGLLEZAP-MRXNPFEDSA-N
MW367.37 g/mol
LogP3.01
Rot. Bonds7

About N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide

N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 162379695) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID162379695
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC NameN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H20F3N3O2/c1-2-8-24(12-16(25)13-4-3-7-22-10-13)17(26)9-15-6-5-14(11-23-15)18(19,20)21/h3-7,10-11,16,25H,2,8-9,12H2,1H3/t16-/m1/s1
InChIKeyZAXJPNVGLLEZAP-MRXNPFEDSA-N
XLogP3.01
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide with MolForge

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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
US10239838, Example 54
CID 121413994
US10239838, Example 63
CID 121427875
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
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-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide (CID 162379695) is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide is CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is ZAXJPNVGLLEZAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-2-8-24(12-16(25)13-4-3-7-22-10-13)17(26)9-15-6-5-14(11-23-15)18(19,20)21/h3-7,10-11,16,25H,2,8-9,12H2,1H3/t16-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 367.37 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 162379695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).