N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C17H18F3N3O3 — CID 71625320

IUPACN-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCN(CCO)c1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C17H18F3N3O3/c1-23(8-9-24)15-7-4-13(10-21-15)22-16(25)11-26-14-5-2-12(3-6-14)17(18,19)20/h2-7,10,24H,8-9,11H2,1H3,(H,22,25)
InChIKeyFDJMFDVXCYLTLY-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.55
Rot. Bonds7

About N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 71625320) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID71625320
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC NameN-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCN(CCO)c1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C17H18F3N3O3/c1-23(8-9-24)15-7-4-13(10-21-15)22-16(25)11-26-14-5-2-12(3-6-14)17(18,19)20/h2-7,10,24H,8-9,11H2,1H3,(H,22,25)
InChIKeyFDJMFDVXCYLTLY-UHFFFAOYSA-N
XLogP2.55
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide
CID 71625205
N-[6-(dimethylamino)-3-pyridinyl]-2-(4-methoxyphenoxy)acetamide
CID 46699606
2-(4-acetylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2621495
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467585
N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467598
N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 55523564
N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467602
N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46491720
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
N-(4-fluoro-2-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 87000961
N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467642
N-[3-(phenylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55524065

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 71625320) is N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is CN(CCO)c1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is FDJMFDVXCYLTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-23(8-9-24)15-7-4-13(10-21-15)22-16(25)11-26-14-5-2-12(3-6-14)17(18,19)20/h2-7,10,24H,8-9,11H2,1H3,(H,22,25).
What are the key properties of N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 369.34 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 71625320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).