3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C22H24N2O3 — CID 121186166

IUPAC3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(C1CCc2ccccc2O1)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C22H24N2O3/c25-22(21-10-7-15-4-1-2-6-20(15)27-21)24-16-8-9-17(24)13-19(12-16)26-18-5-3-11-23-14-18/h1-6,11,14,16-17,19,21H,7-10,12-13H2
InChIKeySKWJFPFWRAFNNE-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.38
Rot. Bonds3

About 3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 121186166) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID121186166
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(C1CCc2ccccc2O1)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C22H24N2O3/c25-22(21-10-7-15-4-1-2-6-20(15)27-21)24-16-8-9-17(24)13-19(12-16)26-18-5-3-11-23-14-18/h1-6,11,14,16-17,19,21H,7-10,12-13H2
InChIKeySKWJFPFWRAFNNE-UHFFFAOYSA-N
XLogP3.38
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 129357029
pyridin-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185862
furan-3-yl-[(1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129357635
1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone
CID 121186032
(4-methylpiperazin-1-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186145
1H-indol-3-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186064
(4-bromophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186056
(4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185870
N-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186213
(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 119103729
2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 119103733
2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185901

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 121186166) is 3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(C1CCc2ccccc2O1)N1C2CCC1CC(Oc1cccnc1)C2.
What is the InChIKey of 3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is SKWJFPFWRAFNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-22(21-10-7-15-4-1-2-6-20(15)27-21)24-16-8-9-17(24)13-19(12-16)26-18-5-3-11-23-14-18/h1-6,11,14,16-17,19,21H,7-10,12-13H2.
What are the key properties of 3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 364.44 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 121186166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).