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

C22H20F3N3O4 — CID 155595146

IUPACN-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(NC(=O)c2cccn(-c3cccnc3OCC(F)(F)F)c2=O)cc1
InChIInChI=1S/C22H20F3N3O4/c1-21(2,31)14-7-9-15(10-8-14)27-18(29)16-5-4-12-28(20(16)30)17-6-3-11-26-19(17)32-13-22(23,24)25/h3-12,31H,13H2,1-2H3,(H,27,29)
InChIKeyUFPFHCJBNKNGAP-UHFFFAOYSA-N
MW447.41 g/mol
LogP3.65
Rot. Bonds6

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

N-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 155595146) has the molecular formula C22H20F3N3O4 and a molecular weight of 447.41 g/mol. Its IUPAC name is N-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID155595146
Molecular FormulaC22H20F3N3O4
Molecular Weight447.41 g/mol
Exact Mass447.14
IUPAC NameN-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(NC(=O)c2cccn(-c3cccnc3OCC(F)(F)F)c2=O)cc1
InChIInChI=1S/C22H20F3N3O4/c1-21(2,31)14-7-9-15(10-8-14)27-18(29)16-5-4-12-28(20(16)30)17-6-3-11-26-19(17)32-13-22(23,24)25/h3-12,31H,13H2,1-2H3,(H,27,29)
InChIKeyUFPFHCJBNKNGAP-UHFFFAOYSA-N
XLogP3.65
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxylic acid
CID 155595220
N-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide
CID 163405275
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
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-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 163405266
1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 163405294
N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31884754
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
1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 7422772
N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843720
1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162930

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide (CID 155595146) is N-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide is CC(C)(O)c1ccc(NC(=O)c2cccn(-c3cccnc3OCC(F)(F)F)c2=O)cc1.
What is the InChIKey of N-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is UFPFHCJBNKNGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O4/c1-21(2,31)14-7-9-15(10-8-14)27-18(29)16-5-4-12-28(20(16)30)17-6-3-11-26-19(17)32-13-22(23,24)25/h3-12,31H,13H2,1-2H3,(H,27,29).
What are the key properties of N-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide?
N-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 447.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 155595146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).