N-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C19H20ClN3O2 — CID 121186682

IUPACN-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C19H20ClN3O2/c20-17-3-1-2-4-18(17)22-19(24)23-13-5-6-14(23)12-16(11-13)25-15-7-9-21-10-8-15/h1-4,7-10,13-14,16H,5-6,11-12H2,(H,22,24)
InChIKeyGJMMFDRDLLCRAZ-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.34
Rot. Bonds3

About N-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 121186682) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID121186682
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C19H20ClN3O2/c20-17-3-1-2-4-18(17)22-19(24)23-13-5-6-14(23)12-16(11-13)25-15-7-9-21-10-8-15/h1-4,7-10,13-14,16H,5-6,11-12H2,(H,22,24)
InChIKeyGJMMFDRDLLCRAZ-UHFFFAOYSA-N
XLogP4.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186665
N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186667
(2-chlorophenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186471
3-pyridin-4-yloxy-N-(3,4,5-trimethoxyphenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186664
N-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186684
(1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129416273
2-phenoxy-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121186339
N-[2-oxo-2-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzamide
CID 121186509
benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121186589
3-phenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121186336
(1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403597
3,3-diphenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121186525

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 121186682) is N-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(Nc1ccccc1Cl)N1C2CCC1CC(Oc1ccncc1)C2.
What is the InChIKey of N-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is GJMMFDRDLLCRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-17-3-1-2-4-18(17)22-19(24)23-13-5-6-14(23)12-16(11-13)25-15-7-9-21-10-8-15/h1-4,7-10,13-14,16H,5-6,11-12H2,(H,22,24).
What are the key properties of N-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 121186682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).