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

C15H13F3N2O3 — CID 95587110

IUPACN-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H13F3N2O3/c16-15(17,18)11-4-2-1-3-10(11)12(21)8-20-14(23)9-5-6-13(22)19-7-9/h1-7,12,21H,8H2,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyGWJDLKQKZYNRBB-LBPRGKRZSA-N
MW326.27 g/mol
LogP1.86
Rot. Bonds4

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

N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 95587110) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID95587110
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC NameN-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H13F3N2O3/c16-15(17,18)11-4-2-1-3-10(11)12(21)8-20-14(23)9-5-6-13(22)19-7-9/h1-7,12,21H,8H2,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyGWJDLKQKZYNRBB-LBPRGKRZSA-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

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Related Compounds

Penipyridone A
CID 132525197
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2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
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CID 45884356
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CID 45884931
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
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1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 51124189
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pent-4-enamide
CID 56765421
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
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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-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 95587110) is N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GWJDLKQKZYNRBB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c16-15(17,18)11-4-2-1-3-10(11)12(21)8-20-14(23)9-5-6-13(22)19-7-9/h1-7,12,21H,8H2,(H,19,22)(H,20,23)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-oxo-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-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95587110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).