N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C16H15F3N2O3 — CID 95977190

IUPACN-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C16H15F3N2O3/c1-9-6-7-11(15(24)21-9)14(23)20-8-13(22)10-4-2-3-5-12(10)16(17,18)19/h2-7,13,22H,8H2,1H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeyGNRZMHZVXUXUFE-CYBMUJFWSA-N
MW340.30 g/mol
LogP2.17
Rot. Bonds4

About N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95977190) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95977190
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC NameN-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C16H15F3N2O3/c1-9-6-7-11(15(24)21-9)14(23)20-8-13(22)10-4-2-3-5-12(10)16(17,18)19/h2-7,13,22H,8H2,1H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeyGNRZMHZVXUXUFE-CYBMUJFWSA-N
XLogP2.17
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Penipyridone A
CID 132525197
N-(3-hydroxy-5-methyl-2-propyl-3H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464335
Penipyridone C
CID 132525199
Penipyridone F
CID 132525202
Ncgc00380985-01_C18H20N2O4_
CID 75528845
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45884346
N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45884356
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45884931
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 47441467
1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 51124189
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea
CID 72046973
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 72046982

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 95977190) is N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GNRZMHZVXUXUFE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-9-6-7-11(15(24)21-9)14(23)20-8-13(22)10-4-2-3-5-12(10)16(17,18)19/h2-7,13,22H,8H2,1H3,(H,20,23)(H,21,24)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95977190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).