2-(3,5-difluoro-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

C22H24F5N3O2 — CID 25125035

IUPAC2-(3,5-difluoro-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cc(F)c(O)c(F)c2)CC1
InChIInChI=1S/C22H24F5N3O2/c1-12-5-7-30(8-6-12)20-14(3-4-18(29-20)22(25,26)27)11-28-21(32)13(2)15-9-16(23)19(31)17(24)10-15/h3-4,9-10,12-13,31H,5-8,11H2,1-2H3,(H,28,32)
InChIKeyODXKAOWIYKNBKM-UHFFFAOYSA-N
MW457.44 g/mol
LogP4.74
Rot. Bonds5

About 2-(3,5-difluoro-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

2-(3,5-difluoro-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 25125035) has the molecular formula C22H24F5N3O2 and a molecular weight of 457.44 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-(3,5-difluoro-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID25125035
Molecular FormulaC22H24F5N3O2
Molecular Weight457.44 g/mol
Exact Mass457.18
IUPAC Name2-(3,5-difluoro-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cc(F)c(O)c(F)c2)CC1
InChIInChI=1S/C22H24F5N3O2/c1-12-5-7-30(8-6-12)20-14(3-4-18(29-20)22(25,26)27)11-28-21(32)13(2)15-9-16(23)19(31)17(24)10-15/h3-4,9-10,12-13,31H,5-8,11H2,1-2H3,(H,28,32)
InChIKeyODXKAOWIYKNBKM-UHFFFAOYSA-N
XLogP4.74
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.44
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-(3,5-difluoro-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 25125035) is 2-(3,5-difluoro-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-(3,5-difluoro-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-(3,5-difluoro-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cc(F)c(O)c(F)c2)CC1.
What is the InChIKey of 2-(3,5-difluoro-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is ODXKAOWIYKNBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F5N3O2/c1-12-5-7-30(8-6-12)20-14(3-4-18(29-20)22(25,26)27)11-28-21(32)13(2)15-9-16(23)19(31)17(24)10-15/h3-4,9-10,12-13,31H,5-8,11H2,1-2H3,(H,28,32).
What are the key properties of 2-(3,5-difluoro-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-(3,5-difluoro-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 457.44 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 25125035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).