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

C18H21N3 — CID 69314982

IUPAC4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane
SMILESc1ccc(-c2cncc(N3CCN4CCCC3C4)c2)cc1
InChIInChI=1S/C18H21N3/c1-2-5-15(6-3-1)16-11-18(13-19-12-16)21-10-9-20-8-4-7-17(21)14-20/h1-3,5-6,11-13,17H,4,7-10,14H2
InChIKeyODYHRRHIWGYYMQ-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.03
Rot. Bonds2

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

4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane (PubChem CID 69314982) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane
PubChem CID69314982
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane
SMILESc1ccc(-c2cncc(N3CCN4CCCC3C4)c2)cc1
InChIInChI=1S/C18H21N3/c1-2-5-15(6-3-1)16-11-18(13-19-12-16)21-10-9-20-8-4-7-17(21)14-20/h1-3,5-6,11-13,17H,4,7-10,14H2
InChIKeyODYHRRHIWGYYMQ-UHFFFAOYSA-N
XLogP3.03
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane 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-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane
CID 69314160
4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane
CID 69314970
4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane
CID 69314249
4-[5-(4-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.1.1]heptane
CID 10445577
4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
CID 69320293
4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
CID 69316633
4-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1,4-diazabicyclo[3.2.1]octane
CID 10404575
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-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,4-diazabicyclo[4.3.1]decane
CID 87338982
4-[5-(trifluoromethyl)-3-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
CID 69320217
4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]-1,4-diazabicyclo[4.3.1]decane
CID 87338682

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane?
The IUPAC name of 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane (CID 69314982) is 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane is c1ccc(-c2cncc(N3CCN4CCCC3C4)c2)cc1.
What is the InChIKey of 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane?
The InChIKey is ODYHRRHIWGYYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-5-15(6-3-1)16-11-18(13-19-12-16)21-10-9-20-8-4-7-17(21)14-20/h1-3,5-6,11-13,17H,4,7-10,14H2.
What are the key properties of 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane?
4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane has a molecular weight of 279.39 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 69314982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).