4-fluoro-1-propan-2-yl-3-(propan-2-ylamino)pyridin-2-one

C11H17FN2O — CID 139383739

IUPAC4-fluoro-1-propan-2-yl-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1c(F)ccn(C(C)C)c1=O
InChIInChI=1S/C11H17FN2O/c1-7(2)13-10-9(12)5-6-14(8(3)4)11(10)15/h5-8,13H,1-4H3
InChIKeyIGDBWLVARGKHJS-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.39
Rot. Bonds3

About 4-fluoro-1-propan-2-yl-3-(propan-2-ylamino)pyridin-2-one

4-fluoro-1-propan-2-yl-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 139383739) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-fluoro-1-propan-2-yl-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-1-propan-2-yl-3-(propan-2-ylamino)pyridin-2-one
PubChem CID139383739
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name4-fluoro-1-propan-2-yl-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1c(F)ccn(C(C)C)c1=O
InChIInChI=1S/C11H17FN2O/c1-7(2)13-10-9(12)5-6-14(8(3)4)11(10)15/h5-8,13H,1-4H3
InChIKeyIGDBWLVARGKHJS-UHFFFAOYSA-N
XLogP2.39
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-propan-2-yl-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 4-fluoro-1-propan-2-yl-3-(propan-2-ylamino)pyridin-2-one (CID 139383739) is 4-fluoro-1-propan-2-yl-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 4-fluoro-1-propan-2-yl-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 4-fluoro-1-propan-2-yl-3-(propan-2-ylamino)pyridin-2-one is CC(C)Nc1c(F)ccn(C(C)C)c1=O.
What is the InChIKey of 4-fluoro-1-propan-2-yl-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is IGDBWLVARGKHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-7(2)13-10-9(12)5-6-14(8(3)4)11(10)15/h5-8,13H,1-4H3.
What are the key properties of 4-fluoro-1-propan-2-yl-3-(propan-2-ylamino)pyridin-2-one?
4-fluoro-1-propan-2-yl-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 212.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-propan-2-yl-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 139383739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).