2-(5-fluoro-2-oxo-1-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide

C13H13FN2O2S — CID 99831470

IUPAC2-(5-fluoro-2-oxo-1-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)Cn1cc(F)ccc1=O
InChIInChI=1S/C13H13FN2O2S/c1-9-4-5-19-11(9)6-15-12(17)8-16-7-10(14)2-3-13(16)18/h2-5,7H,6,8H2,1H3,(H,15,17)
InChIKeyDTOOIVPBRBQECP-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.67
Rot. Bonds4

About 2-(5-fluoro-2-oxo-1-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-(5-fluoro-2-oxo-1-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 99831470) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(5-fluoro-2-oxo-1-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-oxo-1-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID99831470
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name2-(5-fluoro-2-oxo-1-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)Cn1cc(F)ccc1=O
InChIInChI=1S/C13H13FN2O2S/c1-9-4-5-19-11(9)6-15-12(17)8-16-7-10(14)2-3-13(16)18/h2-5,7H,6,8H2,1H3,(H,15,17)
InChIKeyDTOOIVPBRBQECP-UHFFFAOYSA-N
XLogP1.67
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-oxo-1-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-oxo-1-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 99831470) is 2-(5-fluoro-2-oxo-1-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-oxo-1-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-oxo-1-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CNC(=O)Cn1cc(F)ccc1=O.
What is the InChIKey of 2-(5-fluoro-2-oxo-1-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is DTOOIVPBRBQECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-9-4-5-19-11(9)6-15-12(17)8-16-7-10(14)2-3-13(16)18/h2-5,7H,6,8H2,1H3,(H,15,17).
What are the key properties of 2-(5-fluoro-2-oxo-1-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-(5-fluoro-2-oxo-1-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 280.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-oxo-1-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 99831470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).