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

C21H24N4O3 — CID 22897176

IUPAC4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
SMILESCC(=O)Nc1ccc(Oc2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc2)cn1
InChIInChI=1S/C21H24N4O3/c1-14(26)23-20-7-6-18(12-22-20)28-17-4-2-16(3-5-17)21(27)24-19-13-25-10-8-15(19)9-11-25/h2-7,12,15,19H,8-11,13H2,1H3,(H,24,27)(H,22,23,26)/t19-/m0/s1
InChIKeyHTULMTGYVWDSPY-IBGZPJMESA-N
MW380.45 g/mol
LogP2.66
Rot. Bonds5

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

4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide (PubChem CID 22897176) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide.

Molecular Properties

Compound Name4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
PubChem CID22897176
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
SMILESCC(=O)Nc1ccc(Oc2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc2)cn1
InChIInChI=1S/C21H24N4O3/c1-14(26)23-20-7-6-18(12-22-20)28-17-4-2-16(3-5-17)21(27)24-19-13-25-10-8-15(19)9-11-25/h2-7,12,15,19H,8-11,13H2,1H3,(H,24,27)(H,22,23,26)/t19-/m0/s1
InChIKeyHTULMTGYVWDSPY-IBGZPJMESA-N
XLogP2.66
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
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-[(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-[(5-methoxy-1,3,4-oxadiazol-2-yl)oxy]benzamide
CID 18383923
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide
CID 5136899
4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383723
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide
CID 18383331
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383494
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[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide
CID 22573492
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-chloro-1,2-oxazol-3-yl)oxy]benzamide
CID 18383806

Frequently Asked Questions

What is the IUPAC name of 4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide?
The IUPAC name of 4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide (CID 22897176) is 4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide.
What is the SMILES notation for 4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide?
The canonical SMILES for 4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide is CC(=O)Nc1ccc(Oc2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc2)cn1.
What is the InChIKey of 4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide?
The InChIKey is HTULMTGYVWDSPY-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14(26)23-20-7-6-18(12-22-20)28-17-4-2-16(3-5-17)21(27)24-19-13-25-10-8-15(19)9-11-25/h2-7,12,15,19H,8-11,13H2,1H3,(H,24,27)(H,22,23,26)/t19-/m0/s1.
What are the key properties of 4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide?
4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide has a molecular weight of 380.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide is sourced from PubChem (CID 22897176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).