N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C22H27N3O4 — CID 121186209

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCOc1ccc(CNC(=O)N2C3CCC2CC(Oc2cccnc2)C3)cc1OC
InChIInChI=1S/C22H27N3O4/c1-27-20-8-5-15(10-21(20)28-2)13-24-22(26)25-16-6-7-17(25)12-19(11-16)29-18-4-3-9-23-14-18/h3-5,8-10,14,16-17,19H,6-7,11-13H2,1-2H3,(H,24,26)
InChIKeyUEZGQEHAWIRMAJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.38
Rot. Bonds6

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

N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 121186209) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID121186209
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCOc1ccc(CNC(=O)N2C3CCC2CC(Oc2cccnc2)C3)cc1OC
InChIInChI=1S/C22H27N3O4/c1-27-20-8-5-15(10-21(20)28-2)13-24-22(26)25-16-6-7-17(25)12-19(11-16)29-18-4-3-9-23-14-18/h3-5,8-10,14,16-17,19H,6-7,11-13H2,1-2H3,(H,24,26)
InChIKeyUEZGQEHAWIRMAJ-UHFFFAOYSA-N
XLogP3.38
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 121186209) is N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is COc1ccc(CNC(=O)N2C3CCC2CC(Oc2cccnc2)C3)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is UEZGQEHAWIRMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-27-20-8-5-15(10-21(20)28-2)13-24-22(26)25-16-6-7-17(25)12-19(11-16)29-18-4-3-9-23-14-18/h3-5,8-10,14,16-17,19H,6-7,11-13H2,1-2H3,(H,24,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 121186209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).