6-methyl-1-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-2-one

C18H21F3N2O — CID 127048642

IUPAC6-methyl-1-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-2-one
SMILESCc1cc(NCc2ccc(C(F)(F)F)cc2)cc(=O)n1CC(C)C
InChIInChI=1S/C18H21F3N2O/c1-12(2)11-23-13(3)8-16(9-17(23)24)22-10-14-4-6-15(7-5-14)18(19,20)21/h4-9,12,22H,10-11H2,1-3H3
InChIKeyDQGLCUVKAXPIQI-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.44
Rot. Bonds5

About 6-methyl-1-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-2-one

6-methyl-1-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-2-one (PubChem CID 127048642) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-methyl-1-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-2-one
PubChem CID127048642
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC Name6-methyl-1-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-2-one
SMILESCc1cc(NCc2ccc(C(F)(F)F)cc2)cc(=O)n1CC(C)C
InChIInChI=1S/C18H21F3N2O/c1-12(2)11-23-13(3)8-16(9-17(23)24)22-10-14-4-6-15(7-5-14)18(19,20)21/h4-9,12,22H,10-11H2,1-3H3
InChIKeyDQGLCUVKAXPIQI-UHFFFAOYSA-N
XLogP4.44
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-2-one?
The IUPAC name of 6-methyl-1-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-2-one (CID 127048642) is 6-methyl-1-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-2-one.
What is the SMILES notation for 6-methyl-1-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-2-one?
The canonical SMILES for 6-methyl-1-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-2-one is Cc1cc(NCc2ccc(C(F)(F)F)cc2)cc(=O)n1CC(C)C.
What is the InChIKey of 6-methyl-1-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-2-one?
The InChIKey is DQGLCUVKAXPIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O/c1-12(2)11-23-13(3)8-16(9-17(23)24)22-10-14-4-6-15(7-5-14)18(19,20)21/h4-9,12,22H,10-11H2,1-3H3.
What are the key properties of 6-methyl-1-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-2-one?
6-methyl-1-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-2-one has a molecular weight of 338.37 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-2-one is sourced from PubChem (CID 127048642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).