5-N-(3-fluorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide

C18H16FN3O4S — CID 54727879

IUPAC5-N-(3-fluorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide
SMILESCc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3cccc(F)c3)c(O)c12
InChIInChI=1S/C18H16FN3O4S/c1-8-11-13(23)12(15(24)20-10-6-4-5-9(19)7-10)16(25)21-17(11)27-14(8)18(26)22(2)3/h4-7H,1-3H3,(H,20,24)(H2,21,23,25)
InChIKeyHXGFTSGSMSUSAB-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.70
Rot. Bonds3

About 5-N-(3-fluorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide

5-N-(3-fluorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide (PubChem CID 54727879) has the molecular formula C18H16FN3O4S and a molecular weight of 389.41 g/mol. Its IUPAC name is 5-N-(3-fluorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-fluorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide
PubChem CID54727879
Molecular FormulaC18H16FN3O4S
Molecular Weight389.41 g/mol
Exact Mass389.08
IUPAC Name5-N-(3-fluorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide
SMILESCc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3cccc(F)c3)c(O)c12
InChIInChI=1S/C18H16FN3O4S/c1-8-11-13(23)12(15(24)20-10-6-4-5-9(19)7-10)16(25)21-17(11)27-14(8)18(26)22(2)3/h4-7H,1-3H3,(H,20,24)(H2,21,23,25)
InChIKeyHXGFTSGSMSUSAB-UHFFFAOYSA-N
XLogP2.70
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-fluorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-(3-fluorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide (CID 54727879) is 5-N-(3-fluorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-fluorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-(3-fluorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide is Cc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3cccc(F)c3)c(O)c12.
What is the InChIKey of 5-N-(3-fluorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide?
The InChIKey is HXGFTSGSMSUSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S/c1-8-11-13(23)12(15(24)20-10-6-4-5-9(19)7-10)16(25)21-17(11)27-14(8)18(26)22(2)3/h4-7H,1-3H3,(H,20,24)(H2,21,23,25).
What are the key properties of 5-N-(3-fluorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide?
5-N-(3-fluorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide has a molecular weight of 389.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-fluorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 54727879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).