N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide

C16H15F3N2O3 — CID 56765432

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C16H15F3N2O3/c1-21-8-2-3-12(15(21)24)14(23)20-9-13(22)10-4-6-11(7-5-10)16(17,18)19/h2-8,13,22H,9H2,1H3,(H,20,23)
InChIKeyCUEMDMFICDXQOJ-UHFFFAOYSA-N
MW340.30 g/mol
LogP1.87
Rot. Bonds4

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 56765432) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID56765432
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C16H15F3N2O3/c1-21-8-2-3-12(15(21)24)14(23)20-9-13(22)10-4-6-11(7-5-10)16(17,18)19/h2-8,13,22H,9H2,1H3,(H,20,23)
InChIKeyCUEMDMFICDXQOJ-UHFFFAOYSA-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

N-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464422
(E)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylprop-2-enamide
CID 145954649
(E)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylprop-2-enamide
CID 145972885
Penipyridone C
CID 132525199
Penipyridone F
CID 132525202
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-[4-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 53512872
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pent-4-enamide
CID 56765421
N1-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-N2-methyloxalamide
CID 56765496

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 56765432) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is CUEMDMFICDXQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-21-8-2-3-12(15(21)24)14(23)20-9-13(22)10-4-6-11(7-5-10)16(17,18)19/h2-8,13,22H,9H2,1H3,(H,20,23).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-3-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-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 56765432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).