6-methyl-1-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-one

C13H17F3N2O2 — CID 72911635

IUPAC6-methyl-1-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1CCN1CCOCC1
InChIInChI=1S/C13H17F3N2O2/c1-10-8-11(13(14,15)16)9-12(19)18(10)3-2-17-4-6-20-7-5-17/h8-9H,2-7H2,1H3
InChIKeyYPQSBXUOILQYDJ-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.51
Rot. Bonds3

About 6-methyl-1-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-one

6-methyl-1-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-one (PubChem CID 72911635) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 6-methyl-1-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-one
PubChem CID72911635
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name6-methyl-1-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1CCN1CCOCC1
InChIInChI=1S/C13H17F3N2O2/c1-10-8-11(13(14,15)16)9-12(19)18(10)3-2-17-4-6-20-7-5-17/h8-9H,2-7H2,1H3
InChIKeyYPQSBXUOILQYDJ-UHFFFAOYSA-N
XLogP1.51
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 6-methyl-1-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-one (CID 72911635) is 6-methyl-1-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 6-methyl-1-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 6-methyl-1-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)cc(=O)n1CCN1CCOCC1.
What is the InChIKey of 6-methyl-1-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is YPQSBXUOILQYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-10-8-11(13(14,15)16)9-12(19)18(10)3-2-17-4-6-20-7-5-17/h8-9H,2-7H2,1H3.
What are the key properties of 6-methyl-1-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-one?
6-methyl-1-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 290.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72911635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).