1-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyridin-2-one

C21H23F3N2O2 — CID 58284083

IUPAC1-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyridin-2-one
SMILESCc1ccc(CC(=O)[C@H](CC2CCCC2)n2cccc(C(F)(F)F)c2=O)nc1
InChIInChI=1S/C21H23F3N2O2/c1-14-8-9-16(25-13-14)12-19(27)18(11-15-5-2-3-6-15)26-10-4-7-17(20(26)28)21(22,23)24/h4,7-10,13,15,18H,2-3,5-6,11-12H2,1H3/t18-/m0/s1
InChIKeyXEDNKNGIFVTLGA-SFHVURJKSA-N
MW392.42 g/mol
LogP4.50
Rot. Bonds6

About 1-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyridin-2-one

1-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 58284083) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID58284083
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name1-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyridin-2-one
SMILESCc1ccc(CC(=O)[C@H](CC2CCCC2)n2cccc(C(F)(F)F)c2=O)nc1
InChIInChI=1S/C21H23F3N2O2/c1-14-8-9-16(25-13-14)12-19(27)18(11-15-5-2-3-6-15)26-10-4-7-17(20(26)28)21(22,23)24/h4,7-10,13,15,18H,2-3,5-6,11-12H2,1H3/t18-/m0/s1
InChIKeyXEDNKNGIFVTLGA-SFHVURJKSA-N
XLogP4.50
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyridin-2-one with MolForge

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Related Compounds

7-Methyl-8-oxo-5-P-tolyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (S)-[(S)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide (enantiomeric mix)
CID 10053205
3,3-dimethyl-1-[(2S)-2-[5-(pyridin-3-yl)pentanoyl]pyrrolidin-1-yl]pentane-1,2-dione
CID 9798888
5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 9871891
7-Methyl-8-oxo-5-phenyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 10369373
7-Methyl-8-oxo-5-P-tolyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (S)-[(R)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide (enantiomeric mix)
CID 10650263
3,3-dimethyl-1-[(2S)-2-[6-(pyridin-3-yl)hexanoyl]piperidin-1-yl]pentane-1,2-dione
CID 11069110
Cathepsin Inhibitor, Column 2 Row 3
CID 71463527
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-(2-pyridyl)vinyl]benzoyl]-1H-pyridin-2-one
CID 6480034
2-[2-(2-methylbenzoyl)-1H-pyrrol-1-yl]-1-piperidino-1-ethanone
CID 20889313
3-(2-Fluorophenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one
CID 9902603
1',5'-diphenyl-[2,3'-bipyridin]-6'(1'H)-one
CID 9945124
4-Phenyl-1-{(S)-2-[(S)-2-(pyridine-2-carbonyl)-pyrrolidine-1-carbonyl]-pyrrolidin-1-yl}-butan-1-one
CID 10251515

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyridin-2-one (CID 58284083) is 1-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyridin-2-one is Cc1ccc(CC(=O)[C@H](CC2CCCC2)n2cccc(C(F)(F)F)c2=O)nc1.
What is the InChIKey of 1-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is XEDNKNGIFVTLGA-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-14-8-9-16(25-13-14)12-19(27)18(11-15-5-2-3-6-15)26-10-4-7-17(20(26)28)21(22,23)24/h4,7-10,13,15,18H,2-3,5-6,11-12H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyridin-2-one?
1-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 392.42 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 58284083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).