6-hydroxy-4-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

C17H14N2O5S — CID 138512768

IUPAC6-hydroxy-4-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCNC(=O)c1ccc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)cc1
InChIInChI=1S/C17H14N2O5S/c1-18-15(21)10-4-2-9(3-5-10)8-19-11-6-7-25-14(11)12(17(23)24)13(20)16(19)22/h2-7,20H,8H2,1H3,(H,18,21)(H,23,24)
InChIKeyADBSNJUHVNSFGY-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.87
Rot. Bonds4

About 6-hydroxy-4-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

6-hydroxy-4-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512768) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 6-hydroxy-4-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-4-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512768
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name6-hydroxy-4-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCNC(=O)c1ccc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)cc1
InChIInChI=1S/C17H14N2O5S/c1-18-15(21)10-4-2-9(3-5-10)8-19-11-6-7-25-14(11)12(17(23)24)13(20)16(19)22/h2-7,20H,8H2,1H3,(H,18,21)(H,23,24)
InChIKeyADBSNJUHVNSFGY-UHFFFAOYSA-N
XLogP1.87
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-4-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (CID 138512768) is 6-hydroxy-4-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-4-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-4-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is CNC(=O)c1ccc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)cc1.
What is the InChIKey of 6-hydroxy-4-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is ADBSNJUHVNSFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c1-18-15(21)10-4-2-9(3-5-10)8-19-11-6-7-25-14(11)12(17(23)24)13(20)16(19)22/h2-7,20H,8H2,1H3,(H,18,21)(H,23,24).
What are the key properties of 6-hydroxy-4-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-4-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 358.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).