9-methyl-3-(6-phenoxy-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane

C19H23N3O — CID 22057904

IUPAC9-methyl-3-(6-phenoxy-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCN1C2CCC1CN(c1ccc(Oc3ccccc3)nc1)CC2
InChIInChI=1S/C19H23N3O/c1-21-15-7-8-17(21)14-22(12-11-15)16-9-10-19(20-13-16)23-18-5-3-2-4-6-18/h2-6,9-10,13,15,17H,7-8,11-12,14H2,1H3
InChIKeyLHBJQHDGMUBRRW-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.55
Rot. Bonds3

About 9-methyl-3-(6-phenoxy-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane

9-methyl-3-(6-phenoxy-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 22057904) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 9-methyl-3-(6-phenoxy-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name9-methyl-3-(6-phenoxy-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID22057904
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name9-methyl-3-(6-phenoxy-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCN1C2CCC1CN(c1ccc(Oc3ccccc3)nc1)CC2
InChIInChI=1S/C19H23N3O/c1-21-15-7-8-17(21)14-22(12-11-15)16-9-10-19(20-13-16)23-18-5-3-2-4-6-18/h2-6,9-10,13,15,17H,7-8,11-12,14H2,1H3
InChIKeyLHBJQHDGMUBRRW-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-methyl-3-(6-phenoxy-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(6-phenoxy-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 9-methyl-3-(6-phenoxy-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane (CID 22057904) is 9-methyl-3-(6-phenoxy-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 9-methyl-3-(6-phenoxy-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 9-methyl-3-(6-phenoxy-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane is CN1C2CCC1CN(c1ccc(Oc3ccccc3)nc1)CC2.
What is the InChIKey of 9-methyl-3-(6-phenoxy-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is LHBJQHDGMUBRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21-15-7-8-17(21)14-22(12-11-15)16-9-10-19(20-13-16)23-18-5-3-2-4-6-18/h2-6,9-10,13,15,17H,7-8,11-12,14H2,1H3.
What are the key properties of 9-methyl-3-(6-phenoxy-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane?
9-methyl-3-(6-phenoxy-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 309.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(6-phenoxy-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 22057904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).