N-[(2R)-butan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C12H15F3N2O2 — CID 41260495

IUPACN-[(2R)-butan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC[C@@H](C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H15F3N2O2/c1-3-8(2)16-10(18)7-17-6-9(12(13,14)15)4-5-11(17)19/h4-6,8H,3,7H2,1-2H3,(H,16,18)/t8-/m1/s1
InChIKeyDXIFJSKXIBNKBR-MRVPVSSYSA-N
MW276.26 g/mol
LogP1.78
Rot. Bonds4

About N-[(2R)-butan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(2R)-butan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 41260495) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID41260495
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-[(2R)-butan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC[C@@H](C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H15F3N2O2/c1-3-8(2)16-10(18)7-17-6-9(12(13,14)15)4-5-11(17)19/h4-6,8H,3,7H2,1-2H3,(H,16,18)/t8-/m1/s1
InChIKeyDXIFJSKXIBNKBR-MRVPVSSYSA-N
XLogP1.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide
CID 2587467
N-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623831
N-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-3-yl)acetamide
CID 47137243
1-butyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 2121670
N-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2122848
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopropylacetamide
CID 2587509
N-(ethylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2633446
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide
CID 7633456
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8894228
2-[acetyl(methyl)amino]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 47249058
N-methyl-6-oxo-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-1,6-dihydropyridine-3-carboxamide
CID 49669728

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 41260495) is N-[(2R)-butan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC[C@@H](C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is DXIFJSKXIBNKBR-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-3-8(2)16-10(18)7-17-6-9(12(13,14)15)4-5-11(17)19/h4-6,8H,3,7H2,1-2H3,(H,16,18)/t8-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(2R)-butan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 41260495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).