3-[(3R)-3-cyclopropyl-4-hydroxybutanoyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one

C19H18F3NO3 — CID 160776895

IUPAC3-[(3R)-3-cyclopropyl-4-hydroxybutanoyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one
SMILESO=C(C[C@@H](CO)C1CC1)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O
InChIInChI=1S/C19H18F3NO3/c20-15-6-11(7-16(21)18(15)22)9-23-5-1-2-14(19(23)26)17(25)8-13(10-24)12-3-4-12/h1-2,5-7,12-13,24H,3-4,8-10H2/t13-/m0/s1
InChIKeyRTSCEQCKSNJCIZ-ZDUSSCGKSA-N
MW365.35 g/mol
LogP2.91
Rot. Bonds7

About 3-[(3R)-3-cyclopropyl-4-hydroxybutanoyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one

3-[(3R)-3-cyclopropyl-4-hydroxybutanoyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one (PubChem CID 160776895) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 3-[(3R)-3-cyclopropyl-4-hydroxybutanoyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-cyclopropyl-4-hydroxybutanoyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one
PubChem CID160776895
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name3-[(3R)-3-cyclopropyl-4-hydroxybutanoyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one
SMILESO=C(C[C@@H](CO)C1CC1)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O
InChIInChI=1S/C19H18F3NO3/c20-15-6-11(7-16(21)18(15)22)9-23-5-1-2-14(19(23)26)17(25)8-13(10-24)12-3-4-12/h1-2,5-7,12-13,24H,3-4,8-10H2/t13-/m0/s1
InChIKeyRTSCEQCKSNJCIZ-ZDUSSCGKSA-N
XLogP2.91
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-cyclopropyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
CID 59362685
ethene;6-[4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]butoxy]-1,3-dihydroindol-2-one
CID 159651260
2-oxo-N-[(E,1S)-3-(2-oxo-1,3-dihydroindol-5-yl)-1-phenylprop-2-enyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
CID 157110199
2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
CID 59362427
3-[6-(7H-cyclopenta[b]pyridin-5-yl)hexanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one
CID 157396591
1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 103038423
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598014
N-(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 140551893
2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
CID 59362697
N-[1-(4-hydroxyphenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
CID 59362759
N-[(2S)-1-(methylamino)-1-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;(2S)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-2-[[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carbonyl]amino]propanoic acid
CID 157075580
1-[(3,4-difluorophenyl)methyl]-3-[4-[4-(2-oxopropyl)phenoxy]butanoyl]pyridin-2-one
CID 159666432

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-cyclopropyl-4-hydroxybutanoyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 3-[(3R)-3-cyclopropyl-4-hydroxybutanoyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one (CID 160776895) is 3-[(3R)-3-cyclopropyl-4-hydroxybutanoyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-[(3R)-3-cyclopropyl-4-hydroxybutanoyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-[(3R)-3-cyclopropyl-4-hydroxybutanoyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one is O=C(C[C@@H](CO)C1CC1)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O.
What is the InChIKey of 3-[(3R)-3-cyclopropyl-4-hydroxybutanoyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one?
The InChIKey is RTSCEQCKSNJCIZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18F3NO3/c20-15-6-11(7-16(21)18(15)22)9-23-5-1-2-14(19(23)26)17(25)8-13(10-24)12-3-4-12/h1-2,5-7,12-13,24H,3-4,8-10H2/t13-/m0/s1.
What are the key properties of 3-[(3R)-3-cyclopropyl-4-hydroxybutanoyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one?
3-[(3R)-3-cyclopropyl-4-hydroxybutanoyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one has a molecular weight of 365.35 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-cyclopropyl-4-hydroxybutanoyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 160776895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).