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

C19H20ClN3O2 — CID 121186667

IUPACN-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C19H20ClN3O2/c20-13-1-3-14(4-2-13)22-19(24)23-15-5-6-16(23)12-18(11-15)25-17-7-9-21-10-8-17/h1-4,7-10,15-16,18H,5-6,11-12H2,(H,22,24)
InChIKeyLAXPZLBSCZBZBZ-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.34
Rot. Bonds3

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

N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 121186667) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID121186667
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C19H20ClN3O2/c20-13-1-3-14(4-2-13)22-19(24)23-15-5-6-16(23)12-18(11-15)25-17-7-9-21-10-8-17/h1-4,7-10,15-16,18H,5-6,11-12H2,(H,22,24)
InChIKeyLAXPZLBSCZBZBZ-UHFFFAOYSA-N
XLogP4.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 121186667) is N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(Nc1ccc(Cl)cc1)N1C2CCC1CC(Oc1ccncc1)C2.
What is the InChIKey of N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is LAXPZLBSCZBZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-13-1-3-14(4-2-13)22-19(24)23-15-5-6-16(23)12-18(11-15)25-17-7-9-21-10-8-17/h1-4,7-10,15-16,18H,5-6,11-12H2,(H,22,24).
What are the key properties of N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 121186667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).