5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one

C14H21F3N2O — CID 170588236

IUPAC5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1cc(CCN(C)C)c(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C14H21F3N2O/c1-9(2)11-8-10(6-7-18(3)4)12(14(15,16)17)19(5)13(11)20/h8-9H,6-7H2,1-5H3
InChIKeyHWYAMQVOFRVCDU-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.63
Rot. Bonds4

About 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one

5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 170588236) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one
PubChem CID170588236
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1cc(CCN(C)C)c(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C14H21F3N2O/c1-9(2)11-8-10(6-7-18(3)4)12(14(15,16)17)19(5)13(11)20/h8-9H,6-7H2,1-5H3
InChIKeyHWYAMQVOFRVCDU-UHFFFAOYSA-N
XLogP2.63
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one (CID 170588236) is 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one is CC(C)c1cc(CCN(C)C)c(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is HWYAMQVOFRVCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-9(2)11-8-10(6-7-18(3)4)12(14(15,16)17)19(5)13(11)20/h8-9H,6-7H2,1-5H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one?
5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 290.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 170588236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).