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

C20H25N3O — CID 69316633

IUPAC4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
SMILESCOc1cccc(-c2cncc(N3CCN4CCCC3CC4)c2)c1
InChIInChI=1S/C20H25N3O/c1-24-20-6-2-4-16(13-20)17-12-19(15-21-14-17)23-11-10-22-8-3-5-18(23)7-9-22/h2,4,6,12-15,18H,3,5,7-11H2,1H3
InChIKeyKOEMCGGITQTPGG-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.43
Rot. Bonds3

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

4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane (PubChem CID 69316633) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
PubChem CID69316633
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
SMILESCOc1cccc(-c2cncc(N3CCN4CCCC3CC4)c2)c1
InChIInChI=1S/C20H25N3O/c1-24-20-6-2-4-16(13-20)17-12-19(15-21-14-17)23-11-10-22-8-3-5-18(23)7-9-22/h2,4,6,12-15,18H,3,5,7-11H2,1H3
InChIKeyKOEMCGGITQTPGG-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

Analyze 4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
CID 69320293
4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane
CID 69314160
4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
CID 69315262
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-(4-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.1.1]heptane
CID 10445577
3-chloro-5-(3-methoxyphenyl)pyridine
CID 173285153
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705
3-(3-ethylphenyl)-5-(3-methoxyphenyl)pyridine
CID 71141792
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
(2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine
CID 95047414

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane?
The IUPAC name of 4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane (CID 69316633) is 4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane?
The canonical SMILES for 4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane is COc1cccc(-c2cncc(N3CCN4CCCC3CC4)c2)c1.
What is the InChIKey of 4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane?
The InChIKey is KOEMCGGITQTPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-24-20-6-2-4-16(13-20)17-12-19(15-21-14-17)23-11-10-22-8-3-5-18(23)7-9-22/h2,4,6,12-15,18H,3,5,7-11H2,1H3.
What are the key properties of 4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane?
4-[5-(3-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-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 69316633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).