N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C25H25N3O2 — CID 121195568

IUPACN,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(N(c1ccccc1)c1ccccc1)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C25H25N3O2/c29-25(27(19-9-3-1-4-10-19)20-11-5-2-6-12-20)28-21-14-15-22(28)18-23(17-21)30-24-13-7-8-16-26-24/h1-13,16,21-23H,14-15,17-18H2
InChIKeyPTKNWJFSZMWNKF-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.41
Rot. Bonds4

About N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide

N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 121195568) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID121195568
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(N(c1ccccc1)c1ccccc1)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C25H25N3O2/c29-25(27(19-9-3-1-4-10-19)20-11-5-2-6-12-20)28-21-14-15-22(28)18-23(17-21)30-24-13-7-8-16-26-24/h1-13,16,21-23H,14-15,17-18H2
InChIKeyPTKNWJFSZMWNKF-UHFFFAOYSA-N
XLogP5.41
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

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Related Compounds

3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720
3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121195473
2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121195558
N-ethyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195616
oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195554
2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121195411
oxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195431
1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pent-4-en-1-one
CID 121195266
(3,4-dimethylphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195475
(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 121195347
(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone
CID 121195478
N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195601

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 121195568) is N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(N(c1ccccc1)c1ccccc1)N1C2CCC1CC(Oc1ccccn1)C2.
What is the InChIKey of N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is PTKNWJFSZMWNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-25(27(19-9-3-1-4-10-19)20-11-5-2-6-12-20)28-21-14-15-22(28)18-23(17-21)30-24-13-7-8-16-26-24/h1-13,16,21-23H,14-15,17-18H2.
What are the key properties of N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 121195568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).