N-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide

C24H23F3N2O4 — CID 163405275

IUPACN-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(OCC(F)(F)F)c1-n1cccc(C(=O)Nc2ccc(C(C)(C)O)cc2)c1=O
InChIInChI=1S/C24H23F3N2O4/c1-15-6-4-8-19(33-14-24(25,26)27)20(15)29-13-5-7-18(22(29)31)21(30)28-17-11-9-16(10-12-17)23(2,3)32/h4-13,32H,14H2,1-3H3,(H,28,30)
InChIKeyAYNSYFQWNYFYRH-UHFFFAOYSA-N
MW460.45 g/mol
LogP4.57
Rot. Bonds6

About N-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide

N-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 163405275) has the molecular formula C24H23F3N2O4 and a molecular weight of 460.45 g/mol. Its IUPAC name is N-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide
PubChem CID163405275
Molecular FormulaC24H23F3N2O4
Molecular Weight460.45 g/mol
Exact Mass460.16
IUPAC NameN-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(OCC(F)(F)F)c1-n1cccc(C(=O)Nc2ccc(C(C)(C)O)cc2)c1=O
InChIInChI=1S/C24H23F3N2O4/c1-15-6-4-8-19(33-14-24(25,26)27)20(15)29-13-5-7-18(22(29)31)21(30)28-17-11-9-16(10-12-17)23(2,3)32/h4-13,32H,14H2,1-3H3,(H,28,30)
InChIKeyAYNSYFQWNYFYRH-UHFFFAOYSA-N
XLogP4.57
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 54.57
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-(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-(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
1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 155595105
N-(1-tert-butylpyrazol-3-yl)-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide
CID 163405216
2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474623
1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 7422772
2-[2-(2,2-difluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-3-oxopyridazine-4-carboxamide
CID 155595138
N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843723
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide (CID 163405275) is N-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide is Cc1cccc(OCC(F)(F)F)c1-n1cccc(C(=O)Nc2ccc(C(C)(C)O)cc2)c1=O.
What is the InChIKey of N-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is AYNSYFQWNYFYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4/c1-15-6-4-8-19(33-14-24(25,26)27)20(15)29-13-5-7-18(22(29)31)21(30)28-17-11-9-16(10-12-17)23(2,3)32/h4-13,32H,14H2,1-3H3,(H,28,30).
What are the key properties of N-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide?
N-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 460.45 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxypropan-2-yl)phenyl]-1-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 163405275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).