N-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C19H19Cl2N3O2 — CID 121186665

IUPACN-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C19H19Cl2N3O2/c20-17-4-1-12(9-18(17)21)23-19(25)24-13-2-3-14(24)11-16(10-13)26-15-5-7-22-8-6-15/h1,4-9,13-14,16H,2-3,10-11H2,(H,23,25)
InChIKeyGXQSXCUAZMJJIP-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.99
Rot. Bonds3

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

N-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 121186665) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID121186665
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC NameN-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C19H19Cl2N3O2/c20-17-4-1-12(9-18(17)21)23-19(25)24-13-2-3-14(24)11-16(10-13)26-15-5-7-22-8-6-15/h1,4-9,13-14,16H,2-3,10-11H2,(H,23,25)
InChIKeyGXQSXCUAZMJJIP-UHFFFAOYSA-N
XLogP4.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186667
N-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186682
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
N-(3-chloro-4-methylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63763329
(1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129416273
N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide
CID 90617413
3,3-diphenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121186525
(E)-but-2-enedioic acid;3-(3,4-dichlorophenoxy)-8-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 67329080
N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195601
(1S,5R)-3-pyridin-2-yloxy-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 66927555
(4-bromothiophen-2-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186612

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 121186665) is N-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1C2CCC1CC(Oc1ccncc1)C2.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is GXQSXCUAZMJJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c20-17-4-1-12(9-18(17)21)23-19(25)24-13-2-3-14(24)11-16(10-13)26-15-5-7-22-8-6-15/h1,4-9,13-14,16H,2-3,10-11H2,(H,23,25).
What are the key properties of N-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 392.29 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 121186665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).