1-[2-(cyclohexylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one

C14H19F3N2O — CID 81319779

IUPAC1-[2-(cyclohexylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CCNC1CCCCC1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)12-7-4-8-13(20)19(12)10-9-18-11-5-2-1-3-6-11/h4,7-8,11,18H,1-3,5-6,9-10H2
InChIKeyGSUYDYNFEQDYIM-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.79
Rot. Bonds4

About 1-[2-(cyclohexylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one

1-[2-(cyclohexylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319779) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[2-(cyclohexylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(cyclohexylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319779
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[2-(cyclohexylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CCNC1CCCCC1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)12-7-4-8-13(20)19(12)10-9-18-11-5-2-1-3-6-11/h4,7-8,11,18H,1-3,5-6,9-10H2
InChIKeyGSUYDYNFEQDYIM-UHFFFAOYSA-N
XLogP2.79
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(cyclohexylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (CID 81319779) is 1-[2-(cyclohexylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(cyclohexylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(cyclohexylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is O=c1cccc(C(F)(F)F)n1CCNC1CCCCC1.
What is the InChIKey of 1-[2-(cyclohexylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is GSUYDYNFEQDYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)12-7-4-8-13(20)19(12)10-9-18-11-5-2-1-3-6-11/h4,7-8,11,18H,1-3,5-6,9-10H2.
What are the key properties of 1-[2-(cyclohexylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-(cyclohexylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 288.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).