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

C10H12F3N3O — CID 118982050

IUPAC4-amino-1-cyclopropyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1c(N)cc(C(F)(F)F)n(C2CC2)c1=O
InChIInChI=1S/C10H12F3N3O/c1-15-8-6(14)4-7(10(11,12)13)16(9(8)17)5-2-3-5/h4-5,15H,2-3,14H2,1H3
InChIKeyAFILCGGDNGFUEK-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.83
Rot. Bonds2

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

4-amino-1-cyclopropyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 118982050) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
PubChem CID118982050
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name4-amino-1-cyclopropyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1c(N)cc(C(F)(F)F)n(C2CC2)c1=O
InChIInChI=1S/C10H12F3N3O/c1-15-8-6(14)4-7(10(11,12)13)16(9(8)17)5-2-3-5/h4-5,15H,2-3,14H2,1H3
InChIKeyAFILCGGDNGFUEK-UHFFFAOYSA-N
XLogP1.83
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 4-amino-1-cyclopropyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one (CID 118982050) is 4-amino-1-cyclopropyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 4-amino-1-cyclopropyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 4-amino-1-cyclopropyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one is CNc1c(N)cc(C(F)(F)F)n(C2CC2)c1=O.
What is the InChIKey of 4-amino-1-cyclopropyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is AFILCGGDNGFUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-15-8-6(14)4-7(10(11,12)13)16(9(8)17)5-2-3-5/h4-5,15H,2-3,14H2,1H3.
What are the key properties of 4-amino-1-cyclopropyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
4-amino-1-cyclopropyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 247.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 118982050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).