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

C9H12F3N3O — CID 118865158

IUPAC4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
SMILESCCn1c(C(F)(F)F)cc(N)c(NC)c1=O
InChIInChI=1S/C9H12F3N3O/c1-3-15-6(9(10,11)12)4-5(13)7(14-2)8(15)16/h4,14H,3,13H2,1-2H3
InChIKeyVHEFRMAXMVJTCW-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.51
Rot. Bonds2

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

4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 118865158) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
PubChem CID118865158
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
SMILESCCn1c(C(F)(F)F)cc(N)c(NC)c1=O
InChIInChI=1S/C9H12F3N3O/c1-3-15-6(9(10,11)12)4-5(13)7(14-2)8(15)16/h4,14H,3,13H2,1-2H3
InChIKeyVHEFRMAXMVJTCW-UHFFFAOYSA-N
XLogP1.51
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one (CID 118865158) is 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one is CCn1c(C(F)(F)F)cc(N)c(NC)c1=O.
What is the InChIKey of 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is VHEFRMAXMVJTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-3-15-6(9(10,11)12)4-5(13)7(14-2)8(15)16/h4,14H,3,13H2,1-2H3.
What are the key properties of 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 235.21 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 118865158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).