4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane

C20H25N3O — CID 69315262

IUPAC4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
SMILESCOc1ccccc1-c1cncc(N2CCN3CCCC2CC3)c1
InChIInChI=1S/C20H25N3O/c1-24-20-7-3-2-6-19(20)16-13-18(15-21-14-16)23-12-11-22-9-4-5-17(23)8-10-22/h2-3,6-7,13-15,17H,4-5,8-12H2,1H3
InChIKeyCZYIWVGHQDJXMU-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.43
Rot. Bonds3

About 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane

4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane (PubChem CID 69315262) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
PubChem CID69315262
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
SMILESCOc1ccccc1-c1cncc(N2CCN3CCCC2CC3)c1
InChIInChI=1S/C20H25N3O/c1-24-20-7-3-2-6-19(20)16-13-18(15-21-14-16)23-12-11-22-9-4-5-17(23)8-10-22/h2-3,6-7,13-15,17H,4-5,8-12H2,1H3
InChIKeyCZYIWVGHQDJXMU-UHFFFAOYSA-N
XLogP3.43
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane
CID 69314249
4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane
CID 69314160
4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
CID 69316633
4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
CID 69316734
4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane
CID 69314970
4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane
CID 69314982
4-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1,4-diazabicyclo[3.2.1]octane
CID 10404575
4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
CID 69320293
[5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride
CID 171365623
3-(2-methoxyphenyl)pyridine
CID 4133297
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine
CID 82542720

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane?
The IUPAC name of 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane (CID 69315262) is 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane?
The canonical SMILES for 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane is COc1ccccc1-c1cncc(N2CCN3CCCC2CC3)c1.
What is the InChIKey of 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane?
The InChIKey is CZYIWVGHQDJXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-24-20-7-3-2-6-19(20)16-13-18(15-21-14-16)23-12-11-22-9-4-5-17(23)8-10-22/h2-3,6-7,13-15,17H,4-5,8-12H2,1H3.
What are the key properties of 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane?
4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane has a molecular weight of 323.44 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 69315262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).