2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide

C13H13F3N2O2S — CID 167637271

IUPAC2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESO=C(CC1Sc2ncccc2CC1=O)NCCC(F)(F)F
InChIInChI=1S/C13H13F3N2O2S/c14-13(15,16)3-5-17-11(20)7-10-9(19)6-8-2-1-4-18-12(8)21-10/h1-2,4,10H,3,5-7H2,(H,17,20)
InChIKeyOQRVNAFGARHEBD-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.13
Rot. Bonds4

About 2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide

2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 167637271) has the molecular formula C13H13F3N2O2S and a molecular weight of 318.32 g/mol. Its IUPAC name is 2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID167637271
Molecular FormulaC13H13F3N2O2S
Molecular Weight318.32 g/mol
Exact Mass318.06
IUPAC Name2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESO=C(CC1Sc2ncccc2CC1=O)NCCC(F)(F)F
InChIInChI=1S/C13H13F3N2O2S/c14-13(15,16)3-5-17-11(20)7-10-9(19)6-8-2-1-4-18-12(8)21-10/h1-2,4,10H,3,5-7H2,(H,17,20)
InChIKeyOQRVNAFGARHEBD-UHFFFAOYSA-N
XLogP2.13
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide (CID 167637271) is 2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide is O=C(CC1Sc2ncccc2CC1=O)NCCC(F)(F)F.
What is the InChIKey of 2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is OQRVNAFGARHEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2S/c14-13(15,16)3-5-17-11(20)7-10-9(19)6-8-2-1-4-18-12(8)21-10/h1-2,4,10H,3,5-7H2,(H,17,20).
What are the key properties of 2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide?
2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 318.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 167637271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).