pyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

C18H24N4O2 — CID 164643415

IUPACpyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
SMILESO=C(c1cccnc1)N1C[C@H]2CC[C@@H](C1)N(C(=O)N1CCCC1)C2
InChIInChI=1S/C18H24N4O2/c23-17(15-4-3-7-19-10-15)21-11-14-5-6-16(13-21)22(12-14)18(24)20-8-1-2-9-20/h3-4,7,10,14,16H,1-2,5-6,8-9,11-13H2/t14-,16+/m1/s1
InChIKeyNQRGNVRUPNFTBA-ZBFHGGJFSA-N
MW328.42 g/mol
LogP1.83
Rot. Bonds1

About pyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

pyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (PubChem CID 164643415) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is pyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
PubChem CID164643415
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Namepyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
SMILESO=C(c1cccnc1)N1C[C@H]2CC[C@@H](C1)N(C(=O)N1CCCC1)C2
InChIInChI=1S/C18H24N4O2/c23-17(15-4-3-7-19-10-15)21-11-14-5-6-16(13-21)22(12-14)18(24)20-8-1-2-9-20/h3-4,7,10,14,16H,1-2,5-6,8-9,11-13H2/t14-,16+/m1/s1
InChIKeyNQRGNVRUPNFTBA-ZBFHGGJFSA-N
XLogP1.83
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze pyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone 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

(1R,5S)-N-propan-2-yl-3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 133133397
1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone
CID 156603609
3-phenyl-1-[(1R,5S)-3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one
CID 133118031
3-(3,5-dimethylpyrazolidin-4-yl)-1-[(1S,5R)-3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one
CID 133134138
2-(3-methyl-1,2-oxazol-5-yl)-1-[(1S,5R)-3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 72933484
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone
CID 117050693
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone
CID 72698066
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The IUPAC name of pyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (CID 164643415) is pyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The canonical SMILES for pyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is O=C(c1cccnc1)N1C[C@H]2CC[C@@H](C1)N(C(=O)N1CCCC1)C2.
What is the InChIKey of pyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The InChIKey is NQRGNVRUPNFTBA-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17(15-4-3-7-19-10-15)21-11-14-5-6-16(13-21)22(12-14)18(24)20-8-1-2-9-20/h3-4,7,10,14,16H,1-2,5-6,8-9,11-13H2/t14-,16+/m1/s1.
What are the key properties of pyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
pyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is sourced from PubChem (CID 164643415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).