(6-cyclopentyloxy-3-pyridinyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C23H27N3O3 — CID 121186120

IUPAC(6-cyclopentyloxy-3-pyridinyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1ccc(OC2CCCC2)nc1)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C23H27N3O3/c27-23(16-7-10-22(25-14-16)29-19-4-1-2-5-19)26-17-8-9-18(26)13-21(12-17)28-20-6-3-11-24-15-20/h3,6-7,10-11,14-15,17-19,21H,1-2,4-5,8-9,12-13H2
InChIKeyMHNUZHHCXIRXNZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.01
Rot. Bonds5

About (6-cyclopentyloxy-3-pyridinyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(6-cyclopentyloxy-3-pyridinyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 121186120) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (6-cyclopentyloxy-3-pyridinyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(6-cyclopentyloxy-3-pyridinyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID121186120
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(6-cyclopentyloxy-3-pyridinyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1ccc(OC2CCCC2)nc1)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C23H27N3O3/c27-23(16-7-10-22(25-14-16)29-19-4-1-2-5-19)26-17-8-9-18(26)13-21(12-17)28-20-6-3-11-24-15-20/h3,6-7,10-11,14-15,17-19,21H,1-2,4-5,8-9,12-13H2
InChIKeyMHNUZHHCXIRXNZ-UHFFFAOYSA-N
XLogP4.01
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-cyclopentyloxy-3-pyridinyl)-(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

(4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185870
(4-bromophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186056
furan-3-yl-[(1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129357635
pyridin-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185862
(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone
CID 121186106
[3,5-bis(trifluoromethyl)phenyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186146
(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 119103729
phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 129357029
1H-indol-3-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186064
3-cycloheptyloxypyridine
CID 112558615
(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone
CID 121195478
1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone
CID 121186032

Frequently Asked Questions

What is the IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 121186120) is (6-cyclopentyloxy-3-pyridinyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (6-cyclopentyloxy-3-pyridinyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (6-cyclopentyloxy-3-pyridinyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(c1ccc(OC2CCCC2)nc1)N1C2CCC1CC(Oc1cccnc1)C2.
What is the InChIKey of (6-cyclopentyloxy-3-pyridinyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is MHNUZHHCXIRXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-23(16-7-10-22(25-14-16)29-19-4-1-2-5-19)26-17-8-9-18(26)13-21(12-17)28-20-6-3-11-24-15-20/h3,6-7,10-11,14-15,17-19,21H,1-2,4-5,8-9,12-13H2.
What are the key properties of (6-cyclopentyloxy-3-pyridinyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(6-cyclopentyloxy-3-pyridinyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 393.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopentyloxy-3-pyridinyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 121186120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).