1-(5-amino-4,4-dimethylpentyl)-6-(trifluoromethyl)pyridin-2-one

C13H19F3N2O — CID 81320195

IUPAC1-(5-amino-4,4-dimethylpentyl)-6-(trifluoromethyl)pyridin-2-one
SMILESCC(C)(CN)CCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C13H19F3N2O/c1-12(2,9-17)7-4-8-18-10(13(14,15)16)5-3-6-11(18)19/h3,5-6H,4,7-9,17H2,1-2H3
InChIKeyBNTAJLGFJUCXSP-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.63
Rot. Bonds5

About 1-(5-amino-4,4-dimethylpentyl)-6-(trifluoromethyl)pyridin-2-one

1-(5-amino-4,4-dimethylpentyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81320195) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(5-amino-4,4-dimethylpentyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(5-amino-4,4-dimethylpentyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID81320195
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name1-(5-amino-4,4-dimethylpentyl)-6-(trifluoromethyl)pyridin-2-one
SMILESCC(C)(CN)CCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C13H19F3N2O/c1-12(2,9-17)7-4-8-18-10(13(14,15)16)5-3-6-11(18)19/h3,5-6H,4,7-9,17H2,1-2H3
InChIKeyBNTAJLGFJUCXSP-UHFFFAOYSA-N
XLogP2.63
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4,4-dimethylpentyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(5-amino-4,4-dimethylpentyl)-6-(trifluoromethyl)pyridin-2-one (CID 81320195) is 1-(5-amino-4,4-dimethylpentyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(5-amino-4,4-dimethylpentyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(5-amino-4,4-dimethylpentyl)-6-(trifluoromethyl)pyridin-2-one is CC(C)(CN)CCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-(5-amino-4,4-dimethylpentyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is BNTAJLGFJUCXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-12(2,9-17)7-4-8-18-10(13(14,15)16)5-3-6-11(18)19/h3,5-6H,4,7-9,17H2,1-2H3.
What are the key properties of 1-(5-amino-4,4-dimethylpentyl)-6-(trifluoromethyl)pyridin-2-one?
1-(5-amino-4,4-dimethylpentyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 276.30 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4,4-dimethylpentyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81320195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).