3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane

C20H25N3O3 — CID 22045886

IUPAC3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane
SMILESCOc1ccc(Oc2cncc(N3CC4CCC(C3)NC4)c2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-24-19-6-5-17(8-20(19)25-2)26-18-7-16(10-21-11-18)23-12-14-3-4-15(13-23)22-9-14/h5-8,10-11,14-15,22H,3-4,9,12-13H2,1-2H3
InChIKeyINTFNCDMKLLKNF-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.08
Rot. Bonds5

About 3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane

3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane (PubChem CID 22045886) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane
PubChem CID22045886
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane
SMILESCOc1ccc(Oc2cncc(N3CC4CCC(C3)NC4)c2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-24-19-6-5-17(8-20(19)25-2)26-18-7-16(10-21-11-18)23-12-14-3-4-15(13-23)22-9-14/h5-8,10-11,14-15,22H,3-4,9,12-13H2,1-2H3
InChIKeyINTFNCDMKLLKNF-UHFFFAOYSA-N
XLogP3.08
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane
CID 18432727
3-(5-phenoxy-3-pyridinyl)-3,7-diazabicyclo[3.3.1]nonane
CID 22573918
(1S,4S)-2-[5-(4-methoxyphenoxy)-3-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane
CID 12016228
3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane
CID 22045861
5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene
CID 20537552
4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline
CID 156824030
4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline
CID 64602118
3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane
CID 91456410
3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134791445
1-ethyl-4-(5-methoxy-3-pyridinyl)piperazine
CID 22053538
3-[5-(6-chlorocyclohexa-1,3-dien-1-yl)oxy-3-pyridinyl]-6-oxa-3,8-diazabicyclo[3.2.2]nonane
CID 91607072
(3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine
CID 69206304

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane?
The IUPAC name of 3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane (CID 22045886) is 3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for 3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane?
The canonical SMILES for 3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane is COc1ccc(Oc2cncc(N3CC4CCC(C3)NC4)c2)cc1OC.
What is the InChIKey of 3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane?
The InChIKey is INTFNCDMKLLKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-24-19-6-5-17(8-20(19)25-2)26-18-7-16(10-21-11-18)23-12-14-3-4-15(13-23)22-9-14/h5-8,10-11,14-15,22H,3-4,9,12-13H2,1-2H3.
What are the key properties of 3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane?
3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane has a molecular weight of 355.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 22045886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).