N-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide

C23H21F3N2O3 — CID 166634374

IUPACN-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide
SMILESCC(C)(O)c1ccc(NC(=O)c2cccc(-c3ccccc3OCC(F)(F)F)n2)cc1
InChIInChI=1S/C23H21F3N2O3/c1-22(2,30)15-10-12-16(13-11-15)27-21(29)19-8-5-7-18(28-19)17-6-3-4-9-20(17)31-14-23(24,25)26/h3-13,30H,14H2,1-2H3,(H,27,29)
InChIKeyHRFOBIJVVXGSTB-UHFFFAOYSA-N
MW430.43 g/mol
LogP5.17
Rot. Bonds6

About N-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide

N-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 166634374) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide
PubChem CID166634374
Molecular FormulaC23H21F3N2O3
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC NameN-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide
SMILESCC(C)(O)c1ccc(NC(=O)c2cccc(-c3ccccc3OCC(F)(F)F)n2)cc1
InChIInChI=1S/C23H21F3N2O3/c1-22(2,30)15-10-12-16(13-11-15)27-21(29)19-8-5-7-18(28-19)17-6-3-4-9-20(17)31-14-23(24,25)26/h3-13,30H,14H2,1-2H3,(H,27,29)
InChIKeyHRFOBIJVVXGSTB-UHFFFAOYSA-N
XLogP5.17
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.43
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Picolinafen
CID 3294375
2-[4-(2-hydroxypropan-2-yl)phenyl]-6-(3-methyloxetan-3-yl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405483
6-[4-(4-Fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 9836230
6-{[4-(4-Trifluoroacetamidophenyl)-6-phenyl-2-pyridyl]oxy)hexanoic acid
CID 10390056
6-[4-(4-Fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11221428
6-[4-(4-Fluorophenoxy)phenyl]-N-[2-(1-piperidinyl)ethyl]-2-pyridinecarboxamide
CID 11247128
N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11475352
N-[4-methyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 127043947
US10335399, Example 2-5
CID 134363739
4-[2-(2,2-difluoroethoxy)phenyl]-2-[4-(2-hydroxypropan-2-yl)phenyl]-6-(3-methyloxetan-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 155595281
4-[2-(2,2-difluoroethoxy)phenyl]-2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 155595285
2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 155595460

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide (CID 166634374) is N-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide is CC(C)(O)c1ccc(NC(=O)c2cccc(-c3ccccc3OCC(F)(F)F)n2)cc1.
What is the InChIKey of N-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is HRFOBIJVVXGSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c1-22(2,30)15-10-12-16(13-11-15)27-21(29)19-8-5-7-18(28-19)17-6-3-4-9-20(17)31-14-23(24,25)26/h3-13,30H,14H2,1-2H3,(H,27,29).
What are the key properties of N-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide?
N-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 166634374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).