N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C22H27N3O2 — CID 121195601

IUPACN-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2C3CCC2CC(Oc2ccccn2)C3)cc1
InChIInChI=1S/C22H27N3O2/c1-15(2)16-6-8-17(9-7-16)24-22(26)25-18-10-11-19(25)14-20(13-18)27-21-5-3-4-12-23-21/h3-9,12,15,18-20H,10-11,13-14H2,1-2H3,(H,24,26)
InChIKeyRIEQCBGXWKKETR-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.81
Rot. Bonds4

About N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 121195601) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID121195601
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2C3CCC2CC(Oc2ccccn2)C3)cc1
InChIInChI=1S/C22H27N3O2/c1-15(2)16-6-8-17(9-7-16)24-22(26)25-18-10-11-19(25)14-20(13-18)27-21-5-3-4-12-23-21/h3-9,12,15,18-20H,10-11,13-14H2,1-2H3,(H,24,26)
InChIKeyRIEQCBGXWKKETR-UHFFFAOYSA-N
XLogP4.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

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Related Compounds

(1S,5R)-3-pyridin-2-yloxy-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 66927555
N-ethyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195616
(1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129357126
3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720
N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195642
2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121195558
3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121195473
oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195554
N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186667
(3,4-dimethylphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195475
(2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195460
(3R)-N-(4-fluorophenyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide
CID 129416268

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 121195601) is N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is CC(C)c1ccc(NC(=O)N2C3CCC2CC(Oc2ccccn2)C3)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is RIEQCBGXWKKETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15(2)16-6-8-17(9-7-16)24-22(26)25-18-10-11-19(25)14-20(13-18)27-21-5-3-4-12-23-21/h3-9,12,15,18-20H,10-11,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 121195601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).