N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide

C16H15F3N2O3 — CID 94811800

IUPACN-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1=O
InChIInChI=1S/C16H15F3N2O3/c1-21-7-6-10(8-14(21)23)15(24)20-9-13(22)11-4-2-3-5-12(11)16(17,18)19/h2-8,13,22H,9H2,1H3,(H,20,24)/t13-/m0/s1
InChIKeyAZGRMESOGVCQJS-ZDUSSCGKSA-N
MW340.30 g/mol
LogP1.87
Rot. Bonds4

About N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 94811800) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID94811800
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC NameN-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1=O
InChIInChI=1S/C16H15F3N2O3/c1-21-7-6-10(8-14(21)23)15(24)20-9-13(22)11-4-2-3-5-12(11)16(17,18)19/h2-8,13,22H,9H2,1H3,(H,20,24)/t13-/m0/s1
InChIKeyAZGRMESOGVCQJS-ZDUSSCGKSA-N
XLogP1.87
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide
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(E)-N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide
CID 145952016
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N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-methylbenzamide
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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
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 72047293

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 94811800) is N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1=O.
What is the InChIKey of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is AZGRMESOGVCQJS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-21-7-6-10(8-14(21)23)15(24)20-9-13(22)11-4-2-3-5-12(11)16(17,18)19/h2-8,13,22H,9H2,1H3,(H,20,24)/t13-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 94811800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).