3-amino-5-(azetidin-1-yl)-1-propan-2-ylpyridin-2-one

C11H17N3O — CID 157041763

IUPAC3-amino-5-(azetidin-1-yl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(N2CCC2)cc(N)c1=O
InChIInChI=1S/C11H17N3O/c1-8(2)14-7-9(13-4-3-5-13)6-10(12)11(14)15/h6-8H,3-5,12H2,1-2H3
InChIKeyOZHALTJRSKIPKM-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.22
Rot. Bonds2

About 3-amino-5-(azetidin-1-yl)-1-propan-2-ylpyridin-2-one

3-amino-5-(azetidin-1-yl)-1-propan-2-ylpyridin-2-one (PubChem CID 157041763) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-amino-5-(azetidin-1-yl)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-amino-5-(azetidin-1-yl)-1-propan-2-ylpyridin-2-one
PubChem CID157041763
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-amino-5-(azetidin-1-yl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(N2CCC2)cc(N)c1=O
InChIInChI=1S/C11H17N3O/c1-8(2)14-7-9(13-4-3-5-13)6-10(12)11(14)15/h6-8H,3-5,12H2,1-2H3
InChIKeyOZHALTJRSKIPKM-UHFFFAOYSA-N
XLogP1.22
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(azetidin-1-yl)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-amino-5-(azetidin-1-yl)-1-propan-2-ylpyridin-2-one (CID 157041763) is 3-amino-5-(azetidin-1-yl)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-amino-5-(azetidin-1-yl)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-amino-5-(azetidin-1-yl)-1-propan-2-ylpyridin-2-one is CC(C)n1cc(N2CCC2)cc(N)c1=O.
What is the InChIKey of 3-amino-5-(azetidin-1-yl)-1-propan-2-ylpyridin-2-one?
The InChIKey is OZHALTJRSKIPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)14-7-9(13-4-3-5-13)6-10(12)11(14)15/h6-8H,3-5,12H2,1-2H3.
What are the key properties of 3-amino-5-(azetidin-1-yl)-1-propan-2-ylpyridin-2-one?
3-amino-5-(azetidin-1-yl)-1-propan-2-ylpyridin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(azetidin-1-yl)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 157041763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).