3-amino-5-[2-(3-fluorophenyl)sulfanylacetyl]-6-methyl-1H-pyridin-2-one

C14H13FN2O2S — CID 70309942

IUPAC3-amino-5-[2-(3-fluorophenyl)sulfanylacetyl]-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(N)cc1C(=O)CSc1cccc(F)c1
InChIInChI=1S/C14H13FN2O2S/c1-8-11(6-12(16)14(19)17-8)13(18)7-20-10-4-2-3-9(15)5-10/h2-6H,7,16H2,1H3,(H,17,19)
InChIKeyLASAVESYTGPKCQ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.38
Rot. Bonds4

About 3-amino-5-[2-(3-fluorophenyl)sulfanylacetyl]-6-methyl-1H-pyridin-2-one

3-amino-5-[2-(3-fluorophenyl)sulfanylacetyl]-6-methyl-1H-pyridin-2-one (PubChem CID 70309942) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-amino-5-[2-(3-fluorophenyl)sulfanylacetyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-[2-(3-fluorophenyl)sulfanylacetyl]-6-methyl-1H-pyridin-2-one
PubChem CID70309942
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC Name3-amino-5-[2-(3-fluorophenyl)sulfanylacetyl]-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(N)cc1C(=O)CSc1cccc(F)c1
InChIInChI=1S/C14H13FN2O2S/c1-8-11(6-12(16)14(19)17-8)13(18)7-20-10-4-2-3-9(15)5-10/h2-6H,7,16H2,1H3,(H,17,19)
InChIKeyLASAVESYTGPKCQ-UHFFFAOYSA-N
XLogP2.38
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(3-fluorophenyl)sulfanylacetyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-[2-(3-fluorophenyl)sulfanylacetyl]-6-methyl-1H-pyridin-2-one (CID 70309942) is 3-amino-5-[2-(3-fluorophenyl)sulfanylacetyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-[2-(3-fluorophenyl)sulfanylacetyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-[2-(3-fluorophenyl)sulfanylacetyl]-6-methyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(N)cc1C(=O)CSc1cccc(F)c1.
What is the InChIKey of 3-amino-5-[2-(3-fluorophenyl)sulfanylacetyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is LASAVESYTGPKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-8-11(6-12(16)14(19)17-8)13(18)7-20-10-4-2-3-9(15)5-10/h2-6H,7,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-5-[2-(3-fluorophenyl)sulfanylacetyl]-6-methyl-1H-pyridin-2-one?
3-amino-5-[2-(3-fluorophenyl)sulfanylacetyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 292.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(3-fluorophenyl)sulfanylacetyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 70309942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).