5-[3-(dimethylamino)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one

C11H15F3N2O — CID 171825623

IUPAC5-[3-(dimethylamino)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN(C)CCCc1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-16(2)5-3-4-8-7-15-10(17)6-9(8)11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,17)
InChIKeyUCEVDGBPMPZFGI-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.89
Rot. Bonds4

About 5-[3-(dimethylamino)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one

5-[3-(dimethylamino)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 171825623) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID171825623
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name5-[3-(dimethylamino)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN(C)CCCc1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-16(2)5-3-4-8-7-15-10(17)6-9(8)11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,17)
InChIKeyUCEVDGBPMPZFGI-UHFFFAOYSA-N
XLogP1.89
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[3-(dimethylamino)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one (CID 171825623) is 5-[3-(dimethylamino)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(dimethylamino)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(dimethylamino)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one is CN(C)CCCc1c[nH]c(=O)cc1C(F)(F)F.
What is the InChIKey of 5-[3-(dimethylamino)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is UCEVDGBPMPZFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-16(2)5-3-4-8-7-15-10(17)6-9(8)11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,17).
What are the key properties of 5-[3-(dimethylamino)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
5-[3-(dimethylamino)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 248.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 171825623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).