1-[3-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one

C13H19F3N2O — CID 81319397

IUPAC1-[3-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCCNC(C)CCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C13H19F3N2O/c1-3-8-17-10(2)7-9-18-11(13(14,15)16)5-4-6-12(18)19/h4-6,10,17H,3,7-9H2,1-2H3
InChIKeyPXBAYJAULKUGFY-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.65
Rot. Bonds6

About 1-[3-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one

1-[3-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319397) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-[3-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[3-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319397
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name1-[3-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCCNC(C)CCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C13H19F3N2O/c1-3-8-17-10(2)7-9-18-11(13(14,15)16)5-4-6-12(18)19/h4-6,10,17H,3,7-9H2,1-2H3
InChIKeyPXBAYJAULKUGFY-UHFFFAOYSA-N
XLogP2.65
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[3-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one (CID 81319397) is 1-[3-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[3-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[3-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one is CCCNC(C)CCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[3-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is PXBAYJAULKUGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-3-8-17-10(2)7-9-18-11(13(14,15)16)5-4-6-12(18)19/h4-6,10,17H,3,7-9H2,1-2H3.
What are the key properties of 1-[3-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
1-[3-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 276.30 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).