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

C13H17F3N2O2 — CID 94177642

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H17F3N2O2/c1-3-4-9(2)17-11(19)8-18-7-10(13(14,15)16)5-6-12(18)20/h5-7,9H,3-4,8H2,1-2H3,(H,17,19)/t9-/m1/s1
InChIKeyUTMNCFPATZJSDQ-SECBINFHSA-N
MW290.28 g/mol
LogP2.17
Rot. Bonds5

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

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide (PubChem CID 94177642) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide
PubChem CID94177642
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H17F3N2O2/c1-3-4-9(2)17-11(19)8-18-7-10(13(14,15)16)5-6-12(18)20/h5-7,9H,3-4,8H2,1-2H3,(H,17,19)/t9-/m1/s1
InChIKeyUTMNCFPATZJSDQ-SECBINFHSA-N
XLogP2.17
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277697
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 51284669
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 51284667
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
CID 47020753
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-ylphenyl)acetamide
CID 2623827
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
N-(3-acetamidophenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277669
N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 39613963
(1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 42901397
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7633574
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 9262445

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide (CID 94177642) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide is CCC[C@@H](C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide?
The InChIKey is UTMNCFPATZJSDQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-3-4-9(2)17-11(19)8-18-7-10(13(14,15)16)5-6-12(18)20/h5-7,9H,3-4,8H2,1-2H3,(H,17,19)/t9-/m1/s1.
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide has a molecular weight of 290.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide is sourced from PubChem (CID 94177642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).