potassium 4-(6-aza-3-azanidabicyclo[3.1.1]heptan-6-ylmethyl)-1-methylpyridin-2-one

C12H16KN3O — CID 142326587

IUPACpotassium 4-(6-aza-3-azanidabicyclo[3.1.1]heptan-6-ylmethyl)-1-methylpyridin-2-one
SMILESCn1ccc(CN2C3C[N-]CC2C3)cc1=O.[K+]
InChIInChI=1S/C12H16N3O.K/c1-14-3-2-9(4-12(14)16)8-15-10-5-11(15)7-13-6-10;/h2-4,10-11H,5-8H2,1H3;/q-1;+1
InChIKeyVXJCDJOAEKYUAC-UHFFFAOYSA-N
MW257.38 g/mol
LogP-2.28
Rot. Bonds2

About potassium 4-(6-aza-3-azanidabicyclo[3.1.1]heptan-6-ylmethyl)-1-methylpyridin-2-one

potassium 4-(6-aza-3-azanidabicyclo[3.1.1]heptan-6-ylmethyl)-1-methylpyridin-2-one (PubChem CID 142326587) has the molecular formula C12H16KN3O and a molecular weight of 257.38 g/mol. Its IUPAC name is potassium 4-(6-aza-3-azanidabicyclo[3.1.1]heptan-6-ylmethyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Namepotassium 4-(6-aza-3-azanidabicyclo[3.1.1]heptan-6-ylmethyl)-1-methylpyridin-2-one
PubChem CID142326587
Molecular FormulaC12H16KN3O
Molecular Weight257.38 g/mol
Exact Mass257.09
IUPAC Namepotassium 4-(6-aza-3-azanidabicyclo[3.1.1]heptan-6-ylmethyl)-1-methylpyridin-2-one
SMILESCn1ccc(CN2C3C[N-]CC2C3)cc1=O.[K+]
InChIInChI=1S/C12H16N3O.K/c1-14-3-2-9(4-12(14)16)8-15-10-5-11(15)7-13-6-10;/h2-4,10-11H,5-8H2,1H3;/q-1;+1
InChIKeyVXJCDJOAEKYUAC-UHFFFAOYSA-N
XLogP-2.28
TPSA39.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-2.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 4-(6-aza-3-azanidabicyclo[3.1.1]heptan-6-ylmethyl)-1-methylpyridin-2-one?
The IUPAC name of potassium 4-(6-aza-3-azanidabicyclo[3.1.1]heptan-6-ylmethyl)-1-methylpyridin-2-one (CID 142326587) is potassium 4-(6-aza-3-azanidabicyclo[3.1.1]heptan-6-ylmethyl)-1-methylpyridin-2-one.
What is the SMILES notation for potassium 4-(6-aza-3-azanidabicyclo[3.1.1]heptan-6-ylmethyl)-1-methylpyridin-2-one?
The canonical SMILES for potassium 4-(6-aza-3-azanidabicyclo[3.1.1]heptan-6-ylmethyl)-1-methylpyridin-2-one is Cn1ccc(CN2C3C[N-]CC2C3)cc1=O.[K+].
What is the InChIKey of potassium 4-(6-aza-3-azanidabicyclo[3.1.1]heptan-6-ylmethyl)-1-methylpyridin-2-one?
The InChIKey is VXJCDJOAEKYUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N3O.K/c1-14-3-2-9(4-12(14)16)8-15-10-5-11(15)7-13-6-10;/h2-4,10-11H,5-8H2,1H3;/q-1;+1.
What are the key properties of potassium 4-(6-aza-3-azanidabicyclo[3.1.1]heptan-6-ylmethyl)-1-methylpyridin-2-one?
potassium 4-(6-aza-3-azanidabicyclo[3.1.1]heptan-6-ylmethyl)-1-methylpyridin-2-one has a molecular weight of 257.38 g/mol, XLogP of -2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-(6-aza-3-azanidabicyclo[3.1.1]heptan-6-ylmethyl)-1-methylpyridin-2-one is sourced from PubChem (CID 142326587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).