N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide

C21H25N3O2 — CID 18399841

IUPACN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide
SMILESCc1ccc(Oc2ccc(C(=O)NC3C4CCN(CC4)C3C)cc2)nc1
InChIInChI=1S/C21H25N3O2/c1-14-3-8-19(22-13-14)26-18-6-4-17(5-7-18)21(25)23-20-15(2)24-11-9-16(20)10-12-24/h3-8,13,15-16,20H,9-12H2,1-2H3,(H,23,25)
InChIKeyKLBQGAQGCQNBHL-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.39
Rot. Bonds4

About N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide (PubChem CID 18399841) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide.

Molecular Properties

Compound NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide
PubChem CID18399841
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide
SMILESCc1ccc(Oc2ccc(C(=O)NC3C4CCN(CC4)C3C)cc2)nc1
InChIInChI=1S/C21H25N3O2/c1-14-3-8-19(22-13-14)26-18-6-4-17(5-7-18)21(25)23-20-15(2)24-11-9-16(20)10-12-24/h3-8,13,15-16,20H,9-12H2,1-2H3,(H,23,25)
InChIKeyKLBQGAQGCQNBHL-UHFFFAOYSA-N
XLogP3.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide?
The IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide (CID 18399841) is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide.
What is the SMILES notation for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide?
The canonical SMILES for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide is Cc1ccc(Oc2ccc(C(=O)NC3C4CCN(CC4)C3C)cc2)nc1.
What is the InChIKey of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide?
The InChIKey is KLBQGAQGCQNBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-3-8-19(22-13-14)26-18-6-4-17(5-7-18)21(25)23-20-15(2)24-11-9-16(20)10-12-24/h3-8,13,15-16,20H,9-12H2,1-2H3,(H,23,25).
What are the key properties of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide?
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide is sourced from PubChem (CID 18399841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).