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

C12H17F3N2O — CID 178111978

IUPAC5-[3-(dimethylamino)-2-methylpropyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(Cc1c[nH]c(=O)cc1C(F)(F)F)CN(C)C
InChIInChI=1S/C12H17F3N2O/c1-8(7-17(2)3)4-9-6-16-11(18)5-10(9)12(13,14)15/h5-6,8H,4,7H2,1-3H3,(H,16,18)
InChIKeyQEJYAXHONPRTEH-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.13
Rot. Bonds4

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

5-[3-(dimethylamino)-2-methylpropyl]-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 178111978) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-[3-(dimethylamino)-2-methylpropyl]-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)-2-methylpropyl]-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID178111978
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name5-[3-(dimethylamino)-2-methylpropyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(Cc1c[nH]c(=O)cc1C(F)(F)F)CN(C)C
InChIInChI=1S/C12H17F3N2O/c1-8(7-17(2)3)4-9-6-16-11(18)5-10(9)12(13,14)15/h5-6,8H,4,7H2,1-3H3,(H,16,18)
InChIKeyQEJYAXHONPRTEH-UHFFFAOYSA-N
XLogP2.13
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)-2-methylpropyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[3-(dimethylamino)-2-methylpropyl]-4-(trifluoromethyl)-1H-pyridin-2-one (CID 178111978) is 5-[3-(dimethylamino)-2-methylpropyl]-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(dimethylamino)-2-methylpropyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(dimethylamino)-2-methylpropyl]-4-(trifluoromethyl)-1H-pyridin-2-one is CC(Cc1c[nH]c(=O)cc1C(F)(F)F)CN(C)C.
What is the InChIKey of 5-[3-(dimethylamino)-2-methylpropyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is QEJYAXHONPRTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-8(7-17(2)3)4-9-6-16-11(18)5-10(9)12(13,14)15/h5-6,8H,4,7H2,1-3H3,(H,16,18).
What are the key properties of 5-[3-(dimethylamino)-2-methylpropyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
5-[3-(dimethylamino)-2-methylpropyl]-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 262.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)-2-methylpropyl]-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 178111978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).