N-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C23H31N3O2 — CID 121186684

IUPACN-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C23H31N3O2/c27-22(25-23-12-15-7-16(13-23)9-17(8-15)14-23)26-18-1-2-19(26)11-21(10-18)28-20-3-5-24-6-4-20/h3-6,15-19,21H,1-2,7-14H2,(H,25,27)
InChIKeyCAEVKENYZSAHQH-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.13
Rot. Bonds3

About N-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 121186684) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID121186684
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C23H31N3O2/c27-22(25-23-12-15-7-16(13-23)9-17(8-15)14-23)26-18-1-2-19(26)11-21(10-18)28-20-3-5-24-6-4-20/h3-6,15-19,21H,1-2,7-14H2,(H,25,27)
InChIKeyCAEVKENYZSAHQH-UHFFFAOYSA-N
XLogP4.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186667
(1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129416273
methyl 4-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzoate
CID 121186374
3-pyridin-4-yloxy-N-(3,4,5-trimethoxyphenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186664
(2-chlorophenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186471
(4-bromothiophen-2-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186612
1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone
CID 121186331
N-(1-adamantyl)-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 90591149
(4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186547
2-phenoxy-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121186339
(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 121186393
N-[2-oxo-2-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzamide
CID 121186509

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 121186684) is N-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)N1C2CCC1CC(Oc1ccncc1)C2.
What is the InChIKey of N-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is CAEVKENYZSAHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c27-22(25-23-12-15-7-16(13-23)9-17(8-15)14-23)26-18-1-2-19(26)11-21(10-18)28-20-3-5-24-6-4-20/h3-6,15-19,21H,1-2,7-14H2,(H,25,27).
What are the key properties of N-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 121186684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).