1-[3-methoxy-2-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one

C11H15F3N2O2 — CID 107506239

IUPAC1-[3-methoxy-2-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCNC(COC)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H15F3N2O2/c1-15-9(7-18-2)6-16-5-8(11(12,13)14)3-4-10(16)17/h3-5,9,15H,6-7H2,1-2H3
InChIKeyYRHLTVFABQSUQP-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.10
Rot. Bonds5

About 1-[3-methoxy-2-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one

1-[3-methoxy-2-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 107506239) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-[3-methoxy-2-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[3-methoxy-2-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID107506239
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name1-[3-methoxy-2-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCNC(COC)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H15F3N2O2/c1-15-9(7-18-2)6-16-5-8(11(12,13)14)3-4-10(16)17/h3-5,9,15H,6-7H2,1-2H3
InChIKeyYRHLTVFABQSUQP-UHFFFAOYSA-N
XLogP1.10
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[3-methoxy-2-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one (CID 107506239) is 1-[3-methoxy-2-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[3-methoxy-2-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[3-methoxy-2-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one is CNC(COC)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[3-methoxy-2-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is YRHLTVFABQSUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-15-9(7-18-2)6-16-5-8(11(12,13)14)3-4-10(16)17/h3-5,9,15H,6-7H2,1-2H3.
What are the key properties of 1-[3-methoxy-2-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one?
1-[3-methoxy-2-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 264.25 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 107506239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).