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

C20H22ClN3O2 — CID 22573635

IUPAC4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
SMILESCC1CC2CCN1CC2NC(=O)c1ccc(Oc2cc(Cl)ccn2)cc1
InChIInChI=1S/C20H22ClN3O2/c1-13-10-15-7-9-24(13)12-18(15)23-20(25)14-2-4-17(5-3-14)26-19-11-16(21)6-8-22-19/h2-6,8,11,13,15,18H,7,9-10,12H2,1H3,(H,23,25)
InChIKeyYIBOBJPXPYLNJA-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.74
Rot. Bonds4

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

4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide (PubChem CID 22573635) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide.

Molecular Properties

Compound Name4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
PubChem CID22573635
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
SMILESCC1CC2CCN1CC2NC(=O)c1ccc(Oc2cc(Cl)ccn2)cc1
InChIInChI=1S/C20H22ClN3O2/c1-13-10-15-7-9-24(13)12-18(15)23-20(25)14-2-4-17(5-3-14)26-19-11-16(21)6-8-22-19/h2-6,8,11,13,15,18H,7,9-10,12H2,1H3,(H,23,25)
InChIKeyYIBOBJPXPYLNJA-UHFFFAOYSA-N
XLogP3.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide with MolForge

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Related Compounds

N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide
CID 10149827
N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 10172198
4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 10308998
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide
CID 18383331
4-[(4-acetamido-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383298
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-chloro-1,2-oxazol-3-yl)oxy]benzamide
CID 18383806
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide
CID 22573492
N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(3H-1,2-thiazol-2-ylsulfanyl)benzamide
CID 22573257
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide
CID 18399841
4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 22897176
4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383723
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 22573704

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The IUPAC name of 4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide (CID 22573635) is 4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide.
What is the SMILES notation for 4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The canonical SMILES for 4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide is CC1CC2CCN1CC2NC(=O)c1ccc(Oc2cc(Cl)ccn2)cc1.
What is the InChIKey of 4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The InChIKey is YIBOBJPXPYLNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-13-10-15-7-9-24(13)12-18(15)23-20(25)14-2-4-17(5-3-14)26-19-11-16(21)6-8-22-19/h2-6,8,11,13,15,18H,7,9-10,12H2,1H3,(H,23,25).
What are the key properties of 4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide has a molecular weight of 371.87 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide is sourced from PubChem (CID 22573635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).