4-amino-1-methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one

C8H10F3N3O — CID 118865154

IUPAC4-amino-1-methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1c(N)cc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C8H10F3N3O/c1-13-6-4(12)3-5(8(9,10)11)14(2)7(6)15/h3,13H,12H2,1-2H3
InChIKeyKFUXADCPOSOITR-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.03
Rot. Bonds1

About 4-amino-1-methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one

4-amino-1-methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 118865154) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-amino-1-methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
PubChem CID118865154
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4-amino-1-methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1c(N)cc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C8H10F3N3O/c1-13-6-4(12)3-5(8(9,10)11)14(2)7(6)15/h3,13H,12H2,1-2H3
InChIKeyKFUXADCPOSOITR-UHFFFAOYSA-N
XLogP1.03
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 4-amino-1-methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one (CID 118865154) is 4-amino-1-methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 4-amino-1-methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 4-amino-1-methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one is CNc1c(N)cc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 4-amino-1-methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is KFUXADCPOSOITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-13-6-4(12)3-5(8(9,10)11)14(2)7(6)15/h3,13H,12H2,1-2H3.
What are the key properties of 4-amino-1-methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
4-amino-1-methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 221.18 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 118865154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).