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

C11H15F3N2O — CID 81319656

IUPAC1-[3-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCNC(C)CCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C11H15F3N2O/c1-8(15-2)6-7-16-9(11(12,13)14)4-3-5-10(16)17/h3-5,8,15H,6-7H2,1-2H3
InChIKeyGJOMGFHJLCUSRQ-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.87
Rot. Bonds4

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

1-[3-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319656) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-[3-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[3-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319656
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-[3-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCNC(C)CCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C11H15F3N2O/c1-8(15-2)6-7-16-9(11(12,13)14)4-3-5-10(16)17/h3-5,8,15H,6-7H2,1-2H3
InChIKeyGJOMGFHJLCUSRQ-UHFFFAOYSA-N
XLogP1.87
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[3-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one (CID 81319656) is 1-[3-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[3-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[3-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one is CNC(C)CCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[3-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is GJOMGFHJLCUSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-8(15-2)6-7-16-9(11(12,13)14)4-3-5-10(16)17/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 1-[3-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
1-[3-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 248.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).