4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one

C17H19FN2O5S — CID 118028205

IUPAC4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one
SMILESCn1cc(-c2cn(CS(C)(=O)=O)c(=O)cc2OCC2CC2)cc(F)c1=O
InChIInChI=1S/C17H19FN2O5S/c1-19-7-12(5-14(18)17(19)22)13-8-20(10-26(2,23)24)16(21)6-15(13)25-9-11-3-4-11/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyQVGXRQHXYGJCCA-UHFFFAOYSA-N
MW382.41 g/mol
LogP1.14
Rot. Bonds6

About 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one

4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one (PubChem CID 118028205) has the molecular formula C17H19FN2O5S and a molecular weight of 382.41 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one
PubChem CID118028205
Molecular FormulaC17H19FN2O5S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC Name4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one
SMILESCn1cc(-c2cn(CS(C)(=O)=O)c(=O)cc2OCC2CC2)cc(F)c1=O
InChIInChI=1S/C17H19FN2O5S/c1-19-7-12(5-14(18)17(19)22)13-8-20(10-26(2,23)24)16(21)6-15(13)25-9-11-3-4-11/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyQVGXRQHXYGJCCA-UHFFFAOYSA-N
XLogP1.14
TPSA87.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one?
The IUPAC name of 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one (CID 118028205) is 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one.
What is the SMILES notation for 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one?
The canonical SMILES for 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one is Cn1cc(-c2cn(CS(C)(=O)=O)c(=O)cc2OCC2CC2)cc(F)c1=O.
What is the InChIKey of 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one?
The InChIKey is QVGXRQHXYGJCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5S/c1-19-7-12(5-14(18)17(19)22)13-8-20(10-26(2,23)24)16(21)6-15(13)25-9-11-3-4-11/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one?
4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one has a molecular weight of 382.41 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-1-(methylsulfonylmethyl)pyridin-2-one is sourced from PubChem (CID 118028205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).