5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyridin-2-one

C12H16F2N2O — CID 171484569

IUPAC5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyridin-2-one
SMILESCc1cc(N)cn(C2CCC(F)(F)CC2)c1=O
InChIInChI=1S/C12H16F2N2O/c1-8-6-9(15)7-16(11(8)17)10-2-4-12(13,14)5-3-10/h6-7,10H,2-5,15H2,1H3
InChIKeyMSAWXJPOKWBMEU-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.49
Rot. Bonds1

About 5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyridin-2-one

5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyridin-2-one (PubChem CID 171484569) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyridin-2-one
PubChem CID171484569
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyridin-2-one
SMILESCc1cc(N)cn(C2CCC(F)(F)CC2)c1=O
InChIInChI=1S/C12H16F2N2O/c1-8-6-9(15)7-16(11(8)17)10-2-4-12(13,14)5-3-10/h6-7,10H,2-5,15H2,1H3
InChIKeyMSAWXJPOKWBMEU-UHFFFAOYSA-N
XLogP2.49
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyridin-2-one?
The IUPAC name of 5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyridin-2-one (CID 171484569) is 5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyridin-2-one.
What is the SMILES notation for 5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyridin-2-one?
The canonical SMILES for 5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyridin-2-one is Cc1cc(N)cn(C2CCC(F)(F)CC2)c1=O.
What is the InChIKey of 5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyridin-2-one?
The InChIKey is MSAWXJPOKWBMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8-6-9(15)7-16(11(8)17)10-2-4-12(13,14)5-3-10/h6-7,10H,2-5,15H2,1H3.
What are the key properties of 5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyridin-2-one?
5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyridin-2-one has a molecular weight of 242.27 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyridin-2-one is sourced from PubChem (CID 171484569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).