3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane

C19H23N3O2 — CID 22045861

IUPAC3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCOc1cccc(Oc2cncc(N3CC4CC(C3)N(C)C4)c2)c1
InChIInChI=1S/C19H23N3O2/c1-21-11-14-6-16(21)13-22(12-14)15-7-19(10-20-9-15)24-18-5-3-4-17(8-18)23-2/h3-5,7-10,14,16H,6,11-13H2,1-2H3
InChIKeyZXALTGFSMFECHH-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.02
Rot. Bonds4

About 3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane

3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane (PubChem CID 22045861) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane
PubChem CID22045861
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCOc1cccc(Oc2cncc(N3CC4CC(C3)N(C)C4)c2)c1
InChIInChI=1S/C19H23N3O2/c1-21-11-14-6-16(21)13-22(12-14)15-7-19(10-20-9-15)24-18-5-3-4-17(8-18)23-2/h3-5,7-10,14,16H,6,11-13H2,1-2H3
InChIKeyZXALTGFSMFECHH-UHFFFAOYSA-N
XLogP3.02
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane with MolForge

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Related Compounds

3-(5-phenoxy-3-pyridinyl)-3,7-diazabicyclo[3.3.1]nonane
CID 22573918
tert-butyl 3-(5-phenoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane-6-carboxylate
CID 70991143
3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 143976869
4-[5-(6-methyl-3,6-diazabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]benzonitrile
CID 68874604
3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane
CID 22045886
3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134791445
(1S,4S)-2-[5-(4-methoxyphenoxy)-3-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane
CID 12016228
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane
CID 84778504
1-(5-methoxy-3-pyridinyl)piperazine;dihydrochloride
CID 126809385
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
(1S,5R)-7-[1-(3-methoxyphenyl)piperidin-4-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 166620621

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane (CID 22045861) is 3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane is COc1cccc(Oc2cncc(N3CC4CC(C3)N(C)C4)c2)c1.
What is the InChIKey of 3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is ZXALTGFSMFECHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21-11-14-6-16(21)13-22(12-14)15-7-19(10-20-9-15)24-18-5-3-4-17(8-18)23-2/h3-5,7-10,14,16H,6,11-13H2,1-2H3.
What are the key properties of 3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane?
3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 325.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methoxyphenoxy)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 22045861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).