1-[2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one

C14H19F3N2O — CID 63913984

IUPAC1-[2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCCCNC(Cn1cc(C(F)(F)F)ccc1=O)C1CC1
InChIInChI=1S/C14H19F3N2O/c1-2-7-18-12(10-3-4-10)9-19-8-11(14(15,16)17)5-6-13(19)20/h5-6,8,10,12,18H,2-4,7,9H2,1H3
InChIKeyKGOKQIWLZQQJKT-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.65
Rot. Bonds6

About 1-[2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63913984) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID63913984
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCCCNC(Cn1cc(C(F)(F)F)ccc1=O)C1CC1
InChIInChI=1S/C14H19F3N2O/c1-2-7-18-12(10-3-4-10)9-19-8-11(14(15,16)17)5-6-13(19)20/h5-6,8,10,12,18H,2-4,7,9H2,1H3
InChIKeyKGOKQIWLZQQJKT-UHFFFAOYSA-N
XLogP2.65
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 63913984) is 1-[2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one is CCCNC(Cn1cc(C(F)(F)F)ccc1=O)C1CC1.
What is the InChIKey of 1-[2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is KGOKQIWLZQQJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-7-18-12(10-3-4-10)9-19-8-11(14(15,16)17)5-6-13(19)20/h5-6,8,10,12,18H,2-4,7,9H2,1H3.
What are the key properties of 1-[2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 288.31 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63913984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).