1-ethyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one

C14H19F3N2O — CID 64755077

IUPAC1-ethyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one
SMILESCCn1cc(NC2CCC(C(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C14H19F3N2O/c1-2-19-9-12(7-8-13(19)20)18-11-5-3-10(4-6-11)14(15,16)17/h7-11,18H,2-6H2,1H3
InChIKeyLGNPCXSVXZHLGO-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.40
Rot. Bonds3

About 1-ethyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one

1-ethyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one (PubChem CID 64755077) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-ethyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one
PubChem CID64755077
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-ethyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one
SMILESCCn1cc(NC2CCC(C(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C14H19F3N2O/c1-2-19-9-12(7-8-13(19)20)18-11-5-3-10(4-6-11)14(15,16)17/h7-11,18H,2-6H2,1H3
InChIKeyLGNPCXSVXZHLGO-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-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one (CID 64755077) is 1-ethyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one is CCn1cc(NC2CCC(C(F)(F)F)CC2)ccc1=O.
What is the InChIKey of 1-ethyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one?
The InChIKey is LGNPCXSVXZHLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-19-9-12(7-8-13(19)20)18-11-5-3-10(4-6-11)14(15,16)17/h7-11,18H,2-6H2,1H3.
What are the key properties of 1-ethyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one?
1-ethyl-5-[[4-(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-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one is sourced from PubChem (CID 64755077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).