N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C13H17F3N2O3 — CID 111542957

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(CC(C)(C)O)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C13H17F3N2O3/c1-12(2,21)8-17(3)10(19)7-18-6-4-5-9(11(18)20)13(14,15)16/h4-6,21H,7-8H2,1-3H3
InChIKeyHDYMOTOSDUVHCN-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.10
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 111542957) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID111542957
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(CC(C)(C)O)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C13H17F3N2O3/c1-12(2,21)8-17(3)10(19)7-18-6-4-5-9(11(18)20)13(14,15)16/h4-6,21H,7-8H2,1-3H3
InChIKeyHDYMOTOSDUVHCN-UHFFFAOYSA-N
XLogP1.10
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 51087453
N-butyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 55763661
1-[2-[4-(2-Hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 56802471
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N,N-di(propan-2-yl)acetamide
CID 60382594
2-(3-methyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71968871
N-but-2-ynyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-ynylacetamide
CID 72125493
N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 78855387
N-(cyanomethyl)-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 86859448
N-ethyl-N-(2-methylprop-2-enyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 86919870
N-[(2R)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 94801082
N-[(2S)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 94801083
1-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 95606989

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 111542957) is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CN(CC(C)(C)O)C(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is HDYMOTOSDUVHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-12(2,21)8-17(3)10(19)7-18-6-4-5-9(11(18)20)13(14,15)16/h4-6,21H,7-8H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 306.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 111542957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).