1-ethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one

C14H19F3N2O — CID 64759224

IUPAC1-ethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one
SMILESCCn1cc(NC2CCCC(C(F)(F)F)C2)ccc1=O
InChIInChI=1S/C14H19F3N2O/c1-2-19-9-12(6-7-13(19)20)18-11-5-3-4-10(8-11)14(15,16)17/h6-7,9-11,18H,2-5,8H2,1H3
InChIKeyFNBWYXDGAZHWBP-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.40
Rot. Bonds3

About 1-ethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one

1-ethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one (PubChem CID 64759224) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-ethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one
PubChem CID64759224
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-ethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one
SMILESCCn1cc(NC2CCCC(C(F)(F)F)C2)ccc1=O
InChIInChI=1S/C14H19F3N2O/c1-2-19-9-12(6-7-13(19)20)18-11-5-3-4-10(8-11)14(15,16)17/h6-7,9-11,18H,2-5,8H2,1H3
InChIKeyFNBWYXDGAZHWBP-UHFFFAOYSA-N
XLogP3.40
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one (CID 64759224) is 1-ethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one is CCn1cc(NC2CCCC(C(F)(F)F)C2)ccc1=O.
What is the InChIKey of 1-ethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one?
The InChIKey is FNBWYXDGAZHWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-19-9-12(6-7-13(19)20)18-11-5-3-4-10(8-11)14(15,16)17/h6-7,9-11,18H,2-5,8H2,1H3.
What are the key properties of 1-ethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one?
1-ethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one has a molecular weight of 288.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one is sourced from PubChem (CID 64759224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).