N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C16H15F3N2O3 — CID 111825067

IUPACN-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(O)(CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccccc1
InChIInChI=1S/C16H15F3N2O3/c1-15(24,10-5-3-2-4-6-10)9-20-13(22)11-7-8-12(16(17,18)19)21-14(11)23/h2-8,24H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyYKDJOYLMCXLGPO-UHFFFAOYSA-N
MW340.30 g/mol
LogP2.03
Rot. Bonds4

About N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 111825067) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID111825067
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(O)(CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccccc1
InChIInChI=1S/C16H15F3N2O3/c1-15(24,10-5-3-2-4-6-10)9-20-13(22)11-7-8-12(16(17,18)19)21-14(11)23/h2-8,24H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyYKDJOYLMCXLGPO-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-2-phenylpropyl)-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-(2-hydroxy-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65110907
N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 119627243
N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane
CID 155571822
N-(2-hydroxy-2-phenylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 111335230
N-(9H-fluoren-9-ylmethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464804
N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 39192446
N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 110001816
2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95368019
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111482538
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43170817
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 111825067) is N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC(O)(CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is YKDJOYLMCXLGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-15(24,10-5-3-2-4-6-10)9-20-13(22)11-7-8-12(16(17,18)19)21-14(11)23/h2-8,24H,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 111825067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).