1-[3-methyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one

C14H21F3N2O — CID 81318900

IUPAC1-[3-methyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCCNC(Cn1c(C(F)(F)F)cccc1=O)C(C)C
InChIInChI=1S/C14H21F3N2O/c1-4-8-18-11(10(2)3)9-19-12(14(15,16)17)6-5-7-13(19)20/h5-7,10-11,18H,4,8-9H2,1-3H3
InChIKeyMNPWEKUHRKSERN-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.89
Rot. Bonds6

About 1-[3-methyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one

1-[3-methyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81318900) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-[3-methyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[3-methyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81318900
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name1-[3-methyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCCNC(Cn1c(C(F)(F)F)cccc1=O)C(C)C
InChIInChI=1S/C14H21F3N2O/c1-4-8-18-11(10(2)3)9-19-12(14(15,16)17)6-5-7-13(19)20/h5-7,10-11,18H,4,8-9H2,1-3H3
InChIKeyMNPWEKUHRKSERN-UHFFFAOYSA-N
XLogP2.89
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[3-methyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one (CID 81318900) is 1-[3-methyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[3-methyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[3-methyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one is CCCNC(Cn1c(C(F)(F)F)cccc1=O)C(C)C.
What is the InChIKey of 1-[3-methyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is MNPWEKUHRKSERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-4-8-18-11(10(2)3)9-19-12(14(15,16)17)6-5-7-13(19)20/h5-7,10-11,18H,4,8-9H2,1-3H3.
What are the key properties of 1-[3-methyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
1-[3-methyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 290.33 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81318900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).