N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide

C20H23N3O3 — CID 18383331

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide
SMILESCOc1ccnc(Oc2ccc(C(=O)NC3CN4CCC3CC4)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-25-17-6-9-21-19(12-17)26-16-4-2-15(3-5-16)20(24)22-18-13-23-10-7-14(18)8-11-23/h2-6,9,12,14,18H,7-8,10-11,13H2,1H3,(H,22,24)
InChIKeyXUCKWIXVTHOVBT-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.71
Rot. Bonds5

About N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide (PubChem CID 18383331) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide
PubChem CID18383331
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide
SMILESCOc1ccnc(Oc2ccc(C(=O)NC3CN4CCC3CC4)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-25-17-6-9-21-19(12-17)26-16-4-2-15(3-5-16)20(24)22-18-13-23-10-7-14(18)8-11-23/h2-6,9,12,14,18H,7-8,10-11,13H2,1H3,(H,22,24)
InChIKeyXUCKWIXVTHOVBT-UHFFFAOYSA-N
XLogP2.71
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-acetamido-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383298
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxyphenoxy)benzamide
CID 10154995
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methoxy-1,3,4-oxadiazol-2-yl)oxy]benzamide
CID 18383923
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methoxy-1,3,4-thiadiazol-2-yl)oxy]benzamide
CID 18383785
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-chloro-1,2-oxazol-3-yl)oxy]benzamide
CID 18383806
4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383723
4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 22573635
4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 22897176
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-methoxyphenyl)sulfanylbenzamide
CID 22045891
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide
CID 5136899
4-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)phenyl]-3-methoxybenzoic acid
CID 131929147
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide
CID 121494527

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide (CID 18383331) is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide is COc1ccnc(Oc2ccc(C(=O)NC3CN4CCC3CC4)cc2)c1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide?
The InChIKey is XUCKWIXVTHOVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-25-17-6-9-21-19(12-17)26-16-4-2-15(3-5-16)20(24)22-18-13-23-10-7-14(18)8-11-23/h2-6,9,12,14,18H,7-8,10-11,13H2,1H3,(H,22,24).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide has a molecular weight of 353.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide is sourced from PubChem (CID 18383331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).