1-[5-(propylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one

C15H23F3N2O — CID 81308559

IUPAC1-[5-(propylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCCNC(C)CCCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C15H23F3N2O/c1-3-10-19-12(2)7-4-5-11-20-13(15(16,17)18)8-6-9-14(20)21/h6,8-9,12,19H,3-5,7,10-11H2,1-2H3
InChIKeyXFBQBUVRHTYMIW-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.43
Rot. Bonds8

About 1-[5-(propylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one

1-[5-(propylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81308559) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-[5-(propylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[5-(propylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81308559
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name1-[5-(propylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCCNC(C)CCCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C15H23F3N2O/c1-3-10-19-12(2)7-4-5-11-20-13(15(16,17)18)8-6-9-14(20)21/h6,8-9,12,19H,3-5,7,10-11H2,1-2H3
InChIKeyXFBQBUVRHTYMIW-UHFFFAOYSA-N
XLogP3.43
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(propylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[5-(propylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one (CID 81308559) is 1-[5-(propylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[5-(propylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[5-(propylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one is CCCNC(C)CCCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[5-(propylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is XFBQBUVRHTYMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-3-10-19-12(2)7-4-5-11-20-13(15(16,17)18)8-6-9-14(20)21/h6,8-9,12,19H,3-5,7,10-11H2,1-2H3.
What are the key properties of 1-[5-(propylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one?
1-[5-(propylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 304.36 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(propylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81308559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).