3-hydroxy-3-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

C20H20F3N3O2 — CID 3230896

IUPAC3-hydroxy-3-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1C2CCC1CC(O)(c1cccnc1)C2
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)13-3-5-15(6-4-13)25-18(27)26-16-7-8-17(26)11-19(28,10-16)14-2-1-9-24-12-14/h1-6,9,12,16-17,28H,7-8,10-11H2,(H,25,27)
InChIKeyUKZSOETWJXMJFB-UHFFFAOYSA-N
MW391.39 g/mol
LogP4.15
Rot. Bonds2

About 3-hydroxy-3-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

3-hydroxy-3-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 3230896) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 3-hydroxy-3-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-hydroxy-3-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID3230896
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name3-hydroxy-3-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1C2CCC1CC(O)(c1cccnc1)C2
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)13-3-5-15(6-4-13)25-18(27)26-16-7-8-17(26)11-19(28,10-16)14-2-1-9-24-12-14/h1-6,9,12,16-17,28H,7-8,10-11H2,(H,25,27)
InChIKeyUKZSOETWJXMJFB-UHFFFAOYSA-N
XLogP4.15
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-hydroxy-3-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 3230896) is 3-hydroxy-3-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-hydroxy-3-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-hydroxy-3-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1C2CCC1CC(O)(c1cccnc1)C2.
What is the InChIKey of 3-hydroxy-3-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is UKZSOETWJXMJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)13-3-5-15(6-4-13)25-18(27)26-16-7-8-17(26)11-19(28,10-16)14-2-1-9-24-12-14/h1-6,9,12,16-17,28H,7-8,10-11H2,(H,25,27).
What are the key properties of 3-hydroxy-3-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
3-hydroxy-3-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 3230896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).