4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane

C19H23N3O — CID 69314249

IUPAC4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane
SMILESCOc1ccccc1-c1cncc(N2CCN3CCCC2C3)c1
InChIInChI=1S/C19H23N3O/c1-23-19-7-3-2-6-18(19)15-11-17(13-20-12-15)22-10-9-21-8-4-5-16(22)14-21/h2-3,6-7,11-13,16H,4-5,8-10,14H2,1H3
InChIKeyCLAJZAITPOWRSR-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.04
Rot. Bonds3

About 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane

4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane (PubChem CID 69314249) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane
PubChem CID69314249
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane
SMILESCOc1ccccc1-c1cncc(N2CCN3CCCC2C3)c1
InChIInChI=1S/C19H23N3O/c1-23-19-7-3-2-6-18(19)15-11-17(13-20-12-15)22-10-9-21-8-4-5-16(22)14-21/h2-3,6-7,11-13,16H,4-5,8-10,14H2,1H3
InChIKeyCLAJZAITPOWRSR-UHFFFAOYSA-N
XLogP3.04
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane?
The IUPAC name of 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane (CID 69314249) is 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane is COc1ccccc1-c1cncc(N2CCN3CCCC2C3)c1.
What is the InChIKey of 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane?
The InChIKey is CLAJZAITPOWRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-23-19-7-3-2-6-18(19)15-11-17(13-20-12-15)22-10-9-21-8-4-5-16(22)14-21/h2-3,6-7,11-13,16H,4-5,8-10,14H2,1H3.
What are the key properties of 4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane?
4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane has a molecular weight of 309.41 g/mol, XLogP of 3.04, 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[3.3.1]nonane is sourced from PubChem (CID 69314249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).