3-hydroxy-N-phenyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide

C19H21N3O2 — CID 3230872

IUPAC3-hydroxy-N-phenyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccccc1)N1C2CCC1CC(O)(c1cccnc1)C2
InChIInChI=1S/C19H21N3O2/c23-18(21-15-6-2-1-3-7-15)22-16-8-9-17(22)12-19(24,11-16)14-5-4-10-20-13-14/h1-7,10,13,16-17,24H,8-9,11-12H2,(H,21,23)
InChIKeyJYGCJRGDFNDTFE-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.13
Rot. Bonds2

About 3-hydroxy-N-phenyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide

3-hydroxy-N-phenyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 3230872) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-hydroxy-N-phenyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-phenyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID3230872
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-hydroxy-N-phenyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccccc1)N1C2CCC1CC(O)(c1cccnc1)C2
InChIInChI=1S/C19H21N3O2/c23-18(21-15-6-2-1-3-7-15)22-16-8-9-17(22)12-19(24,11-16)14-5-4-10-20-13-14/h1-7,10,13,16-17,24H,8-9,11-12H2,(H,21,23)
InChIKeyJYGCJRGDFNDTFE-UHFFFAOYSA-N
XLogP3.13
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-N-phenyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-phenyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-hydroxy-N-phenyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 3230872) is 3-hydroxy-N-phenyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-hydroxy-N-phenyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-hydroxy-N-phenyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(Nc1ccccc1)N1C2CCC1CC(O)(c1cccnc1)C2.
What is the InChIKey of 3-hydroxy-N-phenyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is JYGCJRGDFNDTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(21-15-6-2-1-3-7-15)22-16-8-9-17(22)12-19(24,11-16)14-5-4-10-20-13-14/h1-7,10,13,16-17,24H,8-9,11-12H2,(H,21,23).
What are the key properties of 3-hydroxy-N-phenyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
3-hydroxy-N-phenyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-phenyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 3230872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).