N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide

C23H15F9N2O4 — CID 163405278

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccn(-c2ccccc2OCC(F)(F)F)c1=O
InChIInChI=1S/C23H15F9N2O4/c24-20(25,26)12-38-17-6-2-1-5-16(17)34-11-3-4-15(19(34)36)18(35)33-14-9-7-13(8-10-14)21(37,22(27,28)29)23(30,31)32/h1-11,37H,12H2,(H,33,35)
InChIKeyVPWOIVBPNLHCRW-UHFFFAOYSA-N
MW554.37 g/mol
LogP5.34
Rot. Bonds6

About N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 163405278) has the molecular formula C23H15F9N2O4 and a molecular weight of 554.37 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
PubChem CID163405278
Molecular FormulaC23H15F9N2O4
Molecular Weight554.37 g/mol
Exact Mass554.09
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccn(-c2ccccc2OCC(F)(F)F)c1=O
InChIInChI=1S/C23H15F9N2O4/c24-20(25,26)12-38-17-6-2-1-5-16(17)34-11-3-4-15(19(34)36)18(35)33-14-9-7-13(8-10-14)21(37,22(27,28)29)23(30,31)32/h1-11,37H,12H2,(H,33,35)
InChIKeyVPWOIVBPNLHCRW-UHFFFAOYSA-N
XLogP5.34
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.37
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 155595146
N-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide
CID 163405275
1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide
CID 163405143
1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 163405294
1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 163405266
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methoxybenzamide
CID 1188387
N-(1-tert-butylpyrazol-3-yl)-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide
CID 163405216
1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 155595105
N-[1-[[(1R)-2,2-difluorocyclopropyl]methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide
CID 175789533
N-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide
CID 163405285
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide
CID 134010341
2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxylic acid
CID 155595220

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (CID 163405278) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccn(-c2ccccc2OCC(F)(F)F)c1=O.
What is the InChIKey of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is VPWOIVBPNLHCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F9N2O4/c24-20(25,26)12-38-17-6-2-1-5-16(17)34-11-3-4-15(19(34)36)18(35)33-14-9-7-13(8-10-14)21(37,22(27,28)29)23(30,31)32/h1-11,37H,12H2,(H,33,35).
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 554.37 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 163405278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).