1-[2-(propylamino)butyl]-5-(trifluoromethyl)pyridin-2-one

C13H19F3N2O — CID 55170709

IUPAC1-[2-(propylamino)butyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCCCNC(CC)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H19F3N2O/c1-3-7-17-11(4-2)9-18-8-10(13(14,15)16)5-6-12(18)19/h5-6,8,11,17H,3-4,7,9H2,1-2H3
InChIKeyMYNQJTWGYVJXIO-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.65
Rot. Bonds6

About 1-[2-(propylamino)butyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-(propylamino)butyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 55170709) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-[2-(propylamino)butyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(propylamino)butyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID55170709
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name1-[2-(propylamino)butyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCCCNC(CC)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H19F3N2O/c1-3-7-17-11(4-2)9-18-8-10(13(14,15)16)5-6-12(18)19/h5-6,8,11,17H,3-4,7,9H2,1-2H3
InChIKeyMYNQJTWGYVJXIO-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-[2-(propylamino)butyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(propylamino)butyl]-5-(trifluoromethyl)pyridin-2-one (CID 55170709) is 1-[2-(propylamino)butyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(propylamino)butyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(propylamino)butyl]-5-(trifluoromethyl)pyridin-2-one is CCCNC(CC)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[2-(propylamino)butyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is MYNQJTWGYVJXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-3-7-17-11(4-2)9-18-8-10(13(14,15)16)5-6-12(18)19/h5-6,8,11,17H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[2-(propylamino)butyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(propylamino)butyl]-5-(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-[2-(propylamino)butyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 55170709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).