5-hydroxy-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C20H19F3N2O3 — CID 142490185

IUPAC5-hydroxy-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(C2C3OC(CC3O)C2C(=O)Nc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C20H19F3N2O3/c1-10-7-11(5-6-24-10)16-17(15-9-14(26)18(16)28-15)19(27)25-13-4-2-3-12(8-13)20(21,22)23/h2-8,14-18,26H,9H2,1H3,(H,25,27)
InChIKeyAIYDLTREJPNUNU-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.28
Rot. Bonds3

About 5-hydroxy-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

5-hydroxy-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 142490185) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 5-hydroxy-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID142490185
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name5-hydroxy-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(C2C3OC(CC3O)C2C(=O)Nc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C20H19F3N2O3/c1-10-7-11(5-6-24-10)16-17(15-9-14(26)18(16)28-15)19(27)25-13-4-2-3-12(8-13)20(21,22)23/h2-8,14-18,26H,9H2,1H3,(H,25,27)
InChIKeyAIYDLTREJPNUNU-UHFFFAOYSA-N
XLogP3.28
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 5-hydroxy-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 142490185) is 5-hydroxy-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 5-hydroxy-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 5-hydroxy-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is Cc1cc(C2C3OC(CC3O)C2C(=O)Nc2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of 5-hydroxy-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is AIYDLTREJPNUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-10-7-11(5-6-24-10)16-17(15-9-14(26)18(16)28-15)19(27)25-13-4-2-3-12(8-13)20(21,22)23/h2-8,14-18,26H,9H2,1H3,(H,25,27).
What are the key properties of 5-hydroxy-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
5-hydroxy-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 142490185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).