1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone

C20H22N4O2 — CID 156603609

IUPAC1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone
SMILESO=C(c1cccnc1)N1CC2CCC(C1)N(C(=O)Cc1cccnc1)C2
InChIInChI=1S/C20H22N4O2/c25-19(9-15-3-1-7-21-10-15)24-13-16-5-6-18(24)14-23(12-16)20(26)17-4-2-8-22-11-17/h1-4,7-8,10-11,16,18H,5-6,9,12-14H2
InChIKeyXJCJUSFBOAHMJG-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.78
Rot. Bonds3

About 1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone

1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone (PubChem CID 156603609) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone
PubChem CID156603609
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone
SMILESO=C(c1cccnc1)N1CC2CCC(C1)N(C(=O)Cc1cccnc1)C2
InChIInChI=1S/C20H22N4O2/c25-19(9-15-3-1-7-21-10-15)24-13-16-5-6-18(24)14-23(12-16)20(26)17-4-2-8-22-11-17/h1-4,7-8,10-11,16,18H,5-6,9,12-14H2
InChIKeyXJCJUSFBOAHMJG-UHFFFAOYSA-N
XLogP1.78
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone with MolForge

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Related Compounds

3-phenyl-1-[(1R,5S)-3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one
CID 133118031
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
pyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 164643415
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
(1R,5S)-N-propan-2-yl-3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 133133397
1-[(1S,5R)-3-[(4-fluorophenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone
CID 72882321
2-(4-fluorophenyl)-1-[3-(pyrazine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 156606227
1-[(1R,5S)-3-benzoyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-4-phenylbutan-1-one
CID 133134019
2-phenoxy-1-[(1R,5S)-3-(pyridine-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 133115402
3,3,3-trifluoro-1-[(1R,5S)-3-(pyridine-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one
CID 133129629
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone
CID 72698066
[(1R,5R)-6-[(1-ethylindol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-3-ylmethanone
CID 72879054

Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone (CID 156603609) is 1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone is O=C(c1cccnc1)N1CC2CCC(C1)N(C(=O)Cc1cccnc1)C2.
What is the InChIKey of 1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone?
The InChIKey is XJCJUSFBOAHMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19(9-15-3-1-7-21-10-15)24-13-16-5-6-18(24)14-23(12-16)20(26)17-4-2-8-22-11-17/h1-4,7-8,10-11,16,18H,5-6,9,12-14H2.
What are the key properties of 1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone?
1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone has a molecular weight of 350.42 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 156603609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).