3-amino-1-(2-cyclobutylpropyl)pyridin-4-one

C12H18N2O — CID 165482021

IUPAC3-amino-1-(2-cyclobutylpropyl)pyridin-4-one
SMILESCC(Cn1ccc(=O)c(N)c1)C1CCC1
InChIInChI=1S/C12H18N2O/c1-9(10-3-2-4-10)7-14-6-5-12(15)11(13)8-14/h5-6,8-10H,2-4,7,13H2,1H3
InChIKeyICENGHOTUKXXDB-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.87
Rot. Bonds3

About 3-amino-1-(2-cyclobutylpropyl)pyridin-4-one

3-amino-1-(2-cyclobutylpropyl)pyridin-4-one (PubChem CID 165482021) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-amino-1-(2-cyclobutylpropyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(2-cyclobutylpropyl)pyridin-4-one
PubChem CID165482021
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-amino-1-(2-cyclobutylpropyl)pyridin-4-one
SMILESCC(Cn1ccc(=O)c(N)c1)C1CCC1
InChIInChI=1S/C12H18N2O/c1-9(10-3-2-4-10)7-14-6-5-12(15)11(13)8-14/h5-6,8-10H,2-4,7,13H2,1H3
InChIKeyICENGHOTUKXXDB-UHFFFAOYSA-N
XLogP1.87
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-cyclobutylpropyl)pyridin-4-one?
The IUPAC name of 3-amino-1-(2-cyclobutylpropyl)pyridin-4-one (CID 165482021) is 3-amino-1-(2-cyclobutylpropyl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(2-cyclobutylpropyl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(2-cyclobutylpropyl)pyridin-4-one is CC(Cn1ccc(=O)c(N)c1)C1CCC1.
What is the InChIKey of 3-amino-1-(2-cyclobutylpropyl)pyridin-4-one?
The InChIKey is ICENGHOTUKXXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(10-3-2-4-10)7-14-6-5-12(15)11(13)8-14/h5-6,8-10H,2-4,7,13H2,1H3.
What are the key properties of 3-amino-1-(2-cyclobutylpropyl)pyridin-4-one?
3-amino-1-(2-cyclobutylpropyl)pyridin-4-one has a molecular weight of 206.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-cyclobutylpropyl)pyridin-4-one is sourced from PubChem (CID 165482021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).