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

C18H20F3N3O3 — CID 162379739

IUPACN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C18H20F3N3O3/c1-2-8-24(12-16(25)13-4-3-7-22-10-13)17(26)9-14-5-6-15(11-23-14)27-18(19,20)21/h3-7,10-11,16,25H,2,8-9,12H2,1H3/t16-/m1/s1
InChIKeyQCFDTPFNSQVLHD-MRXNPFEDSA-N
MW383.37 g/mol
LogP2.89
Rot. Bonds8

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

N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide (PubChem CID 162379739) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide
PubChem CID162379739
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC NameN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C18H20F3N3O3/c1-2-8-24(12-16(25)13-4-3-7-22-10-13)17(26)9-14-5-6-15(11-23-14)27-18(19,20)21/h3-7,10-11,16,25H,2,8-9,12H2,1H3/t16-/m1/s1
InChIKeyQCFDTPFNSQVLHD-MRXNPFEDSA-N
XLogP2.89
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-{1-[2-(difluoromethoxy)benzyl]-3-piperidinyl}-N-methyl-N-[2-(2-pyridinyl)ethyl]propanamide
CID 16188320
[2-[2-Oxo-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]ethyl]phenyl]boronic acid
CID 137639805
[2-[1-Hydroxy-2-oxo-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]phenyl]boronic acid
CID 137658655
(3-ethoxy-6-methylpyridin-2-yl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 117630025
US11072585, Example 47
CID 122536287
[5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone;hydrochloride
CID 132253124
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
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
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379713

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide (CID 162379739) is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide is CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cn1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide?
The InChIKey is QCFDTPFNSQVLHD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-2-8-24(12-16(25)13-4-3-7-22-10-13)17(26)9-14-5-6-15(11-23-14)27-18(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-(trifluoromethoxy)-2-pyridinyl]acetamide?
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide has a molecular weight of 383.37 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide is sourced from PubChem (CID 162379739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).