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

C13H17F3N2O — CID 64760015

IUPAC1-methyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one
SMILESCn1cc(NC2CCCC(C(F)(F)F)C2)ccc1=O
InChIInChI=1S/C13H17F3N2O/c1-18-8-11(5-6-12(18)19)17-10-4-2-3-9(7-10)13(14,15)16/h5-6,8-10,17H,2-4,7H2,1H3
InChIKeyNZHDOMWQORXWII-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.92
Rot. Bonds2

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

1-methyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one (PubChem CID 64760015) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-methyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one
PubChem CID64760015
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1-methyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one
SMILESCn1cc(NC2CCCC(C(F)(F)F)C2)ccc1=O
InChIInChI=1S/C13H17F3N2O/c1-18-8-11(5-6-12(18)19)17-10-4-2-3-9(7-10)13(14,15)16/h5-6,8-10,17H,2-4,7H2,1H3
InChIKeyNZHDOMWQORXWII-UHFFFAOYSA-N
XLogP2.92
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one?
The IUPAC name of 1-methyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one (CID 64760015) is 1-methyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one is Cn1cc(NC2CCCC(C(F)(F)F)C2)ccc1=O.
What is the InChIKey of 1-methyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one?
The InChIKey is NZHDOMWQORXWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-18-8-11(5-6-12(18)19)17-10-4-2-3-9(7-10)13(14,15)16/h5-6,8-10,17H,2-4,7H2,1H3.
What are the key properties of 1-methyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one?
1-methyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one has a molecular weight of 274.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one is sourced from PubChem (CID 64760015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).