3-amino-1,6-di(cyclobutyl)pyridin-2-one

C13H18N2O — CID 105472759

IUPAC3-amino-1,6-di(cyclobutyl)pyridin-2-one
SMILESNc1ccc(C2CCC2)n(C2CCC2)c1=O
InChIInChI=1S/C13H18N2O/c14-11-7-8-12(9-3-1-4-9)15(13(11)16)10-5-2-6-10/h7-10H,1-6,14H2
InChIKeyBBOJKSKSZHYENX-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.42
Rot. Bonds2

About 3-amino-1,6-di(cyclobutyl)pyridin-2-one

3-amino-1,6-di(cyclobutyl)pyridin-2-one (PubChem CID 105472759) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-1,6-di(cyclobutyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1,6-di(cyclobutyl)pyridin-2-one
PubChem CID105472759
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-amino-1,6-di(cyclobutyl)pyridin-2-one
SMILESNc1ccc(C2CCC2)n(C2CCC2)c1=O
InChIInChI=1S/C13H18N2O/c14-11-7-8-12(9-3-1-4-9)15(13(11)16)10-5-2-6-10/h7-10H,1-6,14H2
InChIKeyBBOJKSKSZHYENX-UHFFFAOYSA-N
XLogP2.42
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,6-di(cyclobutyl)pyridin-2-one?
The IUPAC name of 3-amino-1,6-di(cyclobutyl)pyridin-2-one (CID 105472759) is 3-amino-1,6-di(cyclobutyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1,6-di(cyclobutyl)pyridin-2-one?
The canonical SMILES for 3-amino-1,6-di(cyclobutyl)pyridin-2-one is Nc1ccc(C2CCC2)n(C2CCC2)c1=O.
What is the InChIKey of 3-amino-1,6-di(cyclobutyl)pyridin-2-one?
The InChIKey is BBOJKSKSZHYENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-11-7-8-12(9-3-1-4-9)15(13(11)16)10-5-2-6-10/h7-10H,1-6,14H2.
What are the key properties of 3-amino-1,6-di(cyclobutyl)pyridin-2-one?
3-amino-1,6-di(cyclobutyl)pyridin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,6-di(cyclobutyl)pyridin-2-one is sourced from PubChem (CID 105472759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).