[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone

C13H17N3O — CID 72698066

IUPAC[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1C[C@@H]2CNC[C@@H](C2)C1
InChIInChI=1S/C13H17N3O/c17-13(12-2-1-3-14-7-12)16-8-10-4-11(9-16)6-15-5-10/h1-3,7,10-11,15H,4-6,8-9H2/t10-,11+
InChIKeyCBWLUFBNUDQAHL-PHIMTYICSA-N
MW231.30 g/mol
LogP0.76
Rot. Bonds1

About [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone

[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone (PubChem CID 72698066) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone
PubChem CID72698066
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1C[C@@H]2CNC[C@@H](C2)C1
InChIInChI=1S/C13H17N3O/c17-13(12-2-1-3-14-7-12)16-8-10-4-11(9-16)6-15-5-10/h1-3,7,10-11,15H,4-6,8-9H2/t10-,11+
InChIKeyCBWLUFBNUDQAHL-PHIMTYICSA-N
XLogP0.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone 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

3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
[(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 71493691
1-[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3-pyridin-3-ylpropan-1-one
CID 72696638
3,7-diazabicyclo[3.3.1]nonan-3-yl-(6-pyridin-3-ylcyclohex-3-en-1-yl)methanone
CID 58201413
S-[1-(pyridine-3-carbonyl)azetidin-3-yl] ethanethioate
CID 86242952
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone
CID 156603609
6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone
CID 117050693
4-(pyridine-3-carbonyl)morpholine-2-carbonitrile
CID 78945686
pyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 164643415

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone (CID 72698066) is [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1C[C@@H]2CNC[C@@H](C2)C1.
What is the InChIKey of [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone?
The InChIKey is CBWLUFBNUDQAHL-PHIMTYICSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13(12-2-1-3-14-7-12)16-8-10-4-11(9-16)6-15-5-10/h1-3,7,10-11,15H,4-6,8-9H2/t10-,11+.
What are the key properties of [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone?
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone has a molecular weight of 231.30 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 72698066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).