N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide

C23H28N4O3 — CID 18383816

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(Oc2cncc(N3CCOCC3)c2)cc1
InChIInChI=1S/C23H28N4O3/c28-23(25-22-16-26-7-5-17(22)6-8-26)18-1-3-20(4-2-18)30-21-13-19(14-24-15-21)27-9-11-29-12-10-27/h1-4,13-15,17,22H,5-12,16H2,(H,25,28)
InChIKeyCFZDYEAYQNRYPW-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.53
Rot. Bonds5

About N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide (PubChem CID 18383816) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide
PubChem CID18383816
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(Oc2cncc(N3CCOCC3)c2)cc1
InChIInChI=1S/C23H28N4O3/c28-23(25-22-16-26-7-5-17(22)6-8-26)18-1-3-20(4-2-18)30-21-13-19(14-24-15-21)27-9-11-29-12-10-27/h1-4,13-15,17,22H,5-12,16H2,(H,25,28)
InChIKeyCFZDYEAYQNRYPW-UHFFFAOYSA-N
XLogP2.53
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide with MolForge

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-morpholin-4-ylphenoxy)thiophene-2-carboxamide
CID 18180558
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-chloro-1,2-oxazol-3-yl)oxy]benzamide
CID 18383806
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide
CID 10471783
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide
CID 22573492
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxyphenoxy)benzamide
CID 10154995
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-(1,3,4-oxadiazol-2-yloxy)benzamide
CID 18383462
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-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]oxy]benzamide
CID 18383665
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
CID 18383899

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide (CID 18383816) is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide is O=C(NC1CN2CCC1CC2)c1ccc(Oc2cncc(N3CCOCC3)c2)cc1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide?
The InChIKey is CFZDYEAYQNRYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c28-23(25-22-16-26-7-5-17(22)6-8-26)18-1-3-20(4-2-18)30-21-13-19(14-24-15-21)27-9-11-29-12-10-27/h1-4,13-15,17,22H,5-12,16H2,(H,25,28).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide has a molecular weight of 408.50 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-morpholin-4-yl-3-pyridinyl)oxy]benzamide is sourced from PubChem (CID 18383816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).