N-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C18H25N3O3 — CID 121186213

IUPACN-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NC1CCOCC1)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C18H25N3O3/c22-18(20-13-5-8-23-9-6-13)21-14-3-4-15(21)11-17(10-14)24-16-2-1-7-19-12-16/h1-2,7,12-15,17H,3-6,8-11H2,(H,20,22)
InChIKeyBXSOFHDAZNQDCL-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.34
Rot. Bonds3

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

N-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 121186213) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID121186213
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NC1CCOCC1)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C18H25N3O3/c22-18(20-13-5-8-23-9-6-13)21-14-3-4-15(21)11-17(10-14)24-16-2-1-7-19-12-16/h1-2,7,12-15,17H,3-6,8-11H2,(H,20,22)
InChIKeyBXSOFHDAZNQDCL-UHFFFAOYSA-N
XLogP2.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 129357029
(4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185870
furan-3-yl-[(1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129357635
(4-bromophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186056
pyridin-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185862
(1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129416273
1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone
CID 121186032
(4-methylpiperazin-1-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186145
(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 119103729
[1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186133
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186209
2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185901

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 121186213) is N-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NC1CCOCC1)N1C2CCC1CC(Oc1cccnc1)C2.
What is the InChIKey of N-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is BXSOFHDAZNQDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-18(20-13-5-8-23-9-6-13)21-14-3-4-15(21)11-17(10-14)24-16-2-1-7-19-12-16/h1-2,7,12-15,17H,3-6,8-11H2,(H,20,22).
What are the key properties of N-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 121186213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).