N-[1,1-bis(4-hydroxyphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C21H17F3N2O4 — CID 155464328

IUPACN-[1,1-bis(4-hydroxyphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H17F3N2O4/c1-20(12-2-6-14(27)7-3-12,13-4-8-15(28)9-5-13)26-19(30)16-10-11-17(21(22,23)24)25-18(16)29/h2-11,27-28H,1H3,(H,25,29)(H,26,30)
InChIKeyNVQPXVOOZOJKIU-UHFFFAOYSA-N
MW418.37 g/mol
LogP3.50
Rot. Bonds4

About N-[1,1-bis(4-hydroxyphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[1,1-bis(4-hydroxyphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464328) has the molecular formula C21H17F3N2O4 and a molecular weight of 418.37 g/mol. Its IUPAC name is N-[1,1-bis(4-hydroxyphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1,1-bis(4-hydroxyphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464328
Molecular FormulaC21H17F3N2O4
Molecular Weight418.37 g/mol
Exact Mass418.11
IUPAC NameN-[1,1-bis(4-hydroxyphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H17F3N2O4/c1-20(12-2-6-14(27)7-3-12,13-4-8-15(28)9-5-13)26-19(30)16-10-11-17(21(22,23)24)25-18(16)29/h2-11,27-28H,1H3,(H,25,29)(H,26,30)
InChIKeyNVQPXVOOZOJKIU-UHFFFAOYSA-N
XLogP3.50
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 119627243
N-(2-hydroxy-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65110907
N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 111825067
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43170817
2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 81341001
N-(1,3-dihydroxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65310475
N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane
CID 155571822
N-[(1R)-1-cyclopropylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 33044492
N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 47017222
N-cyclohexyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60708032
3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide
CID 24608336
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43546791

Frequently Asked Questions

What is the IUPAC name of N-[1,1-bis(4-hydroxyphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1,1-bis(4-hydroxyphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464328) is N-[1,1-bis(4-hydroxyphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1,1-bis(4-hydroxyphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1,1-bis(4-hydroxyphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of N-[1,1-bis(4-hydroxyphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is NVQPXVOOZOJKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O4/c1-20(12-2-6-14(27)7-3-12,13-4-8-15(28)9-5-13)26-19(30)16-10-11-17(21(22,23)24)25-18(16)29/h2-11,27-28H,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[1,1-bis(4-hydroxyphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[1,1-bis(4-hydroxyphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 418.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1-bis(4-hydroxyphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).