4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide

C21H23N3O3 — CID 18383723

IUPAC4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
SMILESCC(=O)c1cccc(Oc2ccc(C(=O)NC3CN4CCC3CC4)cc2)n1
InChIInChI=1S/C21H23N3O3/c1-14(25)18-3-2-4-20(22-18)27-17-7-5-16(6-8-17)21(26)23-19-13-24-11-9-15(19)10-12-24/h2-8,15,19H,9-13H2,1H3,(H,23,26)
InChIKeyYKSYBAAGCSSNMR-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.90
Rot. Bonds5

About 4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide

4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide (PubChem CID 18383723) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide.

Molecular Properties

Compound Name4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
PubChem CID18383723
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
SMILESCC(=O)c1cccc(Oc2ccc(C(=O)NC3CN4CCC3CC4)cc2)n1
InChIInChI=1S/C21H23N3O3/c1-14(25)18-3-2-4-20(22-18)27-17-7-5-16(6-8-17)21(26)23-19-13-24-11-9-15(19)10-12-24/h2-8,15,19H,9-13H2,1H3,(H,23,26)
InChIKeyYKSYBAAGCSSNMR-UHFFFAOYSA-N
XLogP2.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.90
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-[(4-methoxy-2-pyridinyl)oxy]benzamide
CID 18383331
4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383494
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-[(5-chloro-1,2-oxazol-3-yl)oxy]benzamide
CID 18383806
3-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenoxy]benzamide
CID 18337457
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[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methoxy-1,3,4-thiadiazol-2-yl)oxy]benzamide
CID 18383785
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide
CID 10471783
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3,4-oxadiazol-2-yloxy)benzamide
CID 18383462

Frequently Asked Questions

What is the IUPAC name of 4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The IUPAC name of 4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide (CID 18383723) is 4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide.
What is the SMILES notation for 4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The canonical SMILES for 4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide is CC(=O)c1cccc(Oc2ccc(C(=O)NC3CN4CCC3CC4)cc2)n1.
What is the InChIKey of 4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The InChIKey is YKSYBAAGCSSNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(25)18-3-2-4-20(22-18)27-17-7-5-16(6-8-17)21(26)23-19-13-24-11-9-15(19)10-12-24/h2-8,15,19H,9-13H2,1H3,(H,23,26).
What are the key properties of 4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide?
4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide is sourced from PubChem (CID 18383723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).