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

C15H13F3N2O3 — CID 110001816

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C15H13F3N2O3/c16-15(17,18)12-7-6-10(14(23)20-12)13(22)19-11(8-21)9-4-2-1-3-5-9/h1-7,11,21H,8H2,(H,19,22)(H,20,23)/t11-/m1/s1
InChIKeyBFULMHFYNMONLS-LLVKDONJSA-N
MW326.27 g/mol
LogP1.86
Rot. Bonds4

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

N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 110001816) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID110001816
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C15H13F3N2O3/c16-15(17,18)12-7-6-10(14(23)20-12)13(22)19-11(8-21)9-4-2-1-3-5-9/h1-7,11,21H,8H2,(H,19,22)(H,20,23)/t11-/m1/s1
InChIKeyBFULMHFYNMONLS-LLVKDONJSA-N
XLogP1.86
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-dihydroxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65310475
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43170817
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 103945014
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
CID 40548744
N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464882
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 30100320
N-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464616
N-[[4-(methanesulfonamido)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464436
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane
CID 155571822
N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464383
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 110001816) is N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(N[C@H](CO)c1ccccc1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is BFULMHFYNMONLS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c16-15(17,18)12-7-6-10(14(23)20-12)13(22)19-11(8-21)9-4-2-1-3-5-9/h1-7,11,21H,8H2,(H,19,22)(H,20,23)/t11-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 326.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110001816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).