4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one

C13H17N3O — CID 134405896

IUPAC4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one
SMILESCc1ccc(N2C(=O)CN3CCC2CC3)cn1
InChIInChI=1S/C13H17N3O/c1-10-2-3-12(8-14-10)16-11-4-6-15(7-5-11)9-13(16)17/h2-3,8,11H,4-7,9H2,1H3
InChIKeyAGNCKKDJGYFENF-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.20
Rot. Bonds1

About 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one

4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one (PubChem CID 134405896) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one.

Molecular Properties

Compound Name4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one
PubChem CID134405896
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one
SMILESCc1ccc(N2C(=O)CN3CCC2CC3)cn1
InChIInChI=1S/C13H17N3O/c1-10-2-3-12(8-14-10)16-11-4-6-15(7-5-11)9-13(16)17/h2-3,8,11H,4-7,9H2,1H3
InChIKeyAGNCKKDJGYFENF-UHFFFAOYSA-N
XLogP1.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane
CID 69319605
1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid
CID 171100779
4-fluoro-1-(6-methyl-3-pyridinyl)piperidin-3-ol
CID 172576145
1-methyl-3-(6-methyl-3-pyridinyl)imidazolidin-2-one
CID 170445532
ethane;1-(6-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 164882777
2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine
CID 123718410
2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane
CID 169153064
4-(bromomethyl)-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504461
5-(3-fluoropiperidin-1-yl)-2-methylpyridine
CID 156752811
ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol
CID 156652004
4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168684777
(1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
CID 66757628

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one?
The IUPAC name of 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one (CID 134405896) is 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one.
What is the SMILES notation for 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one?
The canonical SMILES for 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one is Cc1ccc(N2C(=O)CN3CCC2CC3)cn1.
What is the InChIKey of 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one?
The InChIKey is AGNCKKDJGYFENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-2-3-12(8-14-10)16-11-4-6-15(7-5-11)9-13(16)17/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one?
4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one has a molecular weight of 231.30 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one is sourced from PubChem (CID 134405896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).