5-[3-(dimethylamino)propyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one

C18H27F3N2O2 — CID 156728616

IUPAC5-[3-(dimethylamino)propyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one
SMILESCC(=O)C(CC(C)C)n1cc(CCCN(C)C)c(C(F)(F)F)cc1=O
InChIInChI=1S/C18H27F3N2O2/c1-12(2)9-16(13(3)24)23-11-14(7-6-8-22(4)5)15(10-17(23)25)18(19,20)21/h10-12,16H,6-9H2,1-5H3
InChIKeyCUNQSAYHTXRWSI-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.54
Rot. Bonds8

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

5-[3-(dimethylamino)propyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one (PubChem CID 156728616) has the molecular formula C18H27F3N2O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one
PubChem CID156728616
Molecular FormulaC18H27F3N2O2
Molecular Weight360.42 g/mol
Exact Mass360.20
IUPAC Name5-[3-(dimethylamino)propyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one
SMILESCC(=O)C(CC(C)C)n1cc(CCCN(C)C)c(C(F)(F)F)cc1=O
InChIInChI=1S/C18H27F3N2O2/c1-12(2)9-16(13(3)24)23-11-14(7-6-8-22(4)5)15(10-17(23)25)18(19,20)21/h10-12,16H,6-9H2,1-5H3
InChIKeyCUNQSAYHTXRWSI-UHFFFAOYSA-N
XLogP3.54
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-[3-(dimethylamino)propyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one (CID 156728616) is 5-[3-(dimethylamino)propyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-[3-(dimethylamino)propyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-[3-(dimethylamino)propyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one is CC(=O)C(CC(C)C)n1cc(CCCN(C)C)c(C(F)(F)F)cc1=O.
What is the InChIKey of 5-[3-(dimethylamino)propyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is CUNQSAYHTXRWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N2O2/c1-12(2)9-16(13(3)24)23-11-14(7-6-8-22(4)5)15(10-17(23)25)18(19,20)21/h10-12,16H,6-9H2,1-5H3.
What are the key properties of 5-[3-(dimethylamino)propyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one?
5-[3-(dimethylamino)propyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 360.42 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 156728616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).