3-amino-1-[4-(2-fluoroethyl)cyclohexyl]pyridin-2-one

C13H19FN2O — CID 139373587

IUPAC3-amino-1-[4-(2-fluoroethyl)cyclohexyl]pyridin-2-one
SMILESNc1cccn(C2CCC(CCF)CC2)c1=O
InChIInChI=1S/C13H19FN2O/c14-8-7-10-3-5-11(6-4-10)16-9-1-2-12(15)13(16)17/h1-2,9-11H,3-8,15H2
InChIKeyMIRAISXTNVBEAK-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.52
Rot. Bonds3

About 3-amino-1-[4-(2-fluoroethyl)cyclohexyl]pyridin-2-one

3-amino-1-[4-(2-fluoroethyl)cyclohexyl]pyridin-2-one (PubChem CID 139373587) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-amino-1-[4-(2-fluoroethyl)cyclohexyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[4-(2-fluoroethyl)cyclohexyl]pyridin-2-one
PubChem CID139373587
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-amino-1-[4-(2-fluoroethyl)cyclohexyl]pyridin-2-one
SMILESNc1cccn(C2CCC(CCF)CC2)c1=O
InChIInChI=1S/C13H19FN2O/c14-8-7-10-3-5-11(6-4-10)16-9-1-2-12(15)13(16)17/h1-2,9-11H,3-8,15H2
InChIKeyMIRAISXTNVBEAK-UHFFFAOYSA-N
XLogP2.52
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(2-fluoroethyl)cyclohexyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[4-(2-fluoroethyl)cyclohexyl]pyridin-2-one (CID 139373587) is 3-amino-1-[4-(2-fluoroethyl)cyclohexyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[4-(2-fluoroethyl)cyclohexyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[4-(2-fluoroethyl)cyclohexyl]pyridin-2-one is Nc1cccn(C2CCC(CCF)CC2)c1=O.
What is the InChIKey of 3-amino-1-[4-(2-fluoroethyl)cyclohexyl]pyridin-2-one?
The InChIKey is MIRAISXTNVBEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-8-7-10-3-5-11(6-4-10)16-9-1-2-12(15)13(16)17/h1-2,9-11H,3-8,15H2.
What are the key properties of 3-amino-1-[4-(2-fluoroethyl)cyclohexyl]pyridin-2-one?
3-amino-1-[4-(2-fluoroethyl)cyclohexyl]pyridin-2-one has a molecular weight of 238.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(2-fluoroethyl)cyclohexyl]pyridin-2-one is sourced from PubChem (CID 139373587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).