6-amino-1-cyclohexyl-5-(4-fluorobenzoyl)pyridin-2-one

C18H19FN2O2 — CID 174667926

IUPAC6-amino-1-cyclohexyl-5-(4-fluorobenzoyl)pyridin-2-one
SMILESNc1c(C(=O)c2ccc(F)cc2)ccc(=O)n1C1CCCCC1
InChIInChI=1S/C18H19FN2O2/c19-13-8-6-12(7-9-13)17(23)15-10-11-16(22)21(18(15)20)14-4-2-1-3-5-14/h6-11,14H,1-5,20H2
InChIKeyJSASZEBCPWLKDG-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.31
Rot. Bonds3

About 6-amino-1-cyclohexyl-5-(4-fluorobenzoyl)pyridin-2-one

6-amino-1-cyclohexyl-5-(4-fluorobenzoyl)pyridin-2-one (PubChem CID 174667926) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 6-amino-1-cyclohexyl-5-(4-fluorobenzoyl)pyridin-2-one.

Molecular Properties

Compound Name6-amino-1-cyclohexyl-5-(4-fluorobenzoyl)pyridin-2-one
PubChem CID174667926
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name6-amino-1-cyclohexyl-5-(4-fluorobenzoyl)pyridin-2-one
SMILESNc1c(C(=O)c2ccc(F)cc2)ccc(=O)n1C1CCCCC1
InChIInChI=1S/C18H19FN2O2/c19-13-8-6-12(7-9-13)17(23)15-10-11-16(22)21(18(15)20)14-4-2-1-3-5-14/h6-11,14H,1-5,20H2
InChIKeyJSASZEBCPWLKDG-UHFFFAOYSA-N
XLogP3.31
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-amino-1-cyclohexyl-5-(4-fluorobenzoyl)pyridin-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 6-amino-1-cyclohexyl-5-(4-fluorobenzoyl)pyridin-2-one?
The IUPAC name of 6-amino-1-cyclohexyl-5-(4-fluorobenzoyl)pyridin-2-one (CID 174667926) is 6-amino-1-cyclohexyl-5-(4-fluorobenzoyl)pyridin-2-one.
What is the SMILES notation for 6-amino-1-cyclohexyl-5-(4-fluorobenzoyl)pyridin-2-one?
The canonical SMILES for 6-amino-1-cyclohexyl-5-(4-fluorobenzoyl)pyridin-2-one is Nc1c(C(=O)c2ccc(F)cc2)ccc(=O)n1C1CCCCC1.
What is the InChIKey of 6-amino-1-cyclohexyl-5-(4-fluorobenzoyl)pyridin-2-one?
The InChIKey is JSASZEBCPWLKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-13-8-6-12(7-9-13)17(23)15-10-11-16(22)21(18(15)20)14-4-2-1-3-5-14/h6-11,14H,1-5,20H2.
What are the key properties of 6-amino-1-cyclohexyl-5-(4-fluorobenzoyl)pyridin-2-one?
6-amino-1-cyclohexyl-5-(4-fluorobenzoyl)pyridin-2-one has a molecular weight of 314.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclohexyl-5-(4-fluorobenzoyl)pyridin-2-one is sourced from PubChem (CID 174667926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).