N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C12H15F3N2O3 — CID 111429139

IUPACN-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(O)CCNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C12H15F3N2O3/c1-8(18)4-5-16-10(19)7-17-6-2-3-9(11(17)20)12(13,14)15/h2-3,6,8,18H,4-5,7H2,1H3,(H,16,19)
InChIKeyQPULFEWKCGTDAP-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.75
Rot. Bonds5

About N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 111429139) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID111429139
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC NameN-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(O)CCNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C12H15F3N2O3/c1-8(18)4-5-16-10(19)7-17-6-2-3-9(11(17)20)12(13,14)15/h2-3,6,8,18H,4-5,7H2,1H3,(H,16,19)
InChIKeyQPULFEWKCGTDAP-UHFFFAOYSA-N
XLogP0.75
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
CID 47020753
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(3-phenylpropyl)acetamide
CID 34362524
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 110889033
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide
CID 30749964
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55950499
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 32923314
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111441452
tert-butyl N-methyl-N-[2-methyl-3-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propyl]carbamate
CID 86934605
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 37397619
N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 86877255
N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 52629901
N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 52629899

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 111429139) is N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CC(O)CCNC(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is QPULFEWKCGTDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-8(18)4-5-16-10(19)7-17-6-2-3-9(11(17)20)12(13,14)15/h2-3,6,8,18H,4-5,7H2,1H3,(H,16,19).
What are the key properties of N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 292.26 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 111429139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).