3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one

C12H18N2O — CID 82466701

IUPAC3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one
SMILESCc1cc(C)n(C2CCCC2)c(=O)c1N
InChIInChI=1S/C12H18N2O/c1-8-7-9(2)14(12(15)11(8)13)10-5-3-4-6-10/h7,10H,3-6,13H2,1-2H3
InChIKeyUERPSJGNGHMQJR-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.16
Rot. Bonds1

About 3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one

3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one (PubChem CID 82466701) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one
PubChem CID82466701
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one
SMILESCc1cc(C)n(C2CCCC2)c(=O)c1N
InChIInChI=1S/C12H18N2O/c1-8-7-9(2)14(12(15)11(8)13)10-5-3-4-6-10/h7,10H,3-6,13H2,1-2H3
InChIKeyUERPSJGNGHMQJR-UHFFFAOYSA-N
XLogP2.16
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one?
The IUPAC name of 3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one (CID 82466701) is 3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one?
The canonical SMILES for 3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one is Cc1cc(C)n(C2CCCC2)c(=O)c1N.
What is the InChIKey of 3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one?
The InChIKey is UERPSJGNGHMQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-7-9(2)14(12(15)11(8)13)10-5-3-4-6-10/h7,10H,3-6,13H2,1-2H3.
What are the key properties of 3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one?
3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 82466701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).