3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid

C14H15N3O5S — CID 22269207

IUPAC3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid
SMILESNc1c(C(=O)O)sc2nc(N3CCC(O)CC3)cc(C(=O)O)c12
InChIInChI=1S/C14H15N3O5S/c15-10-9-7(13(19)20)5-8(17-3-1-6(18)2-4-17)16-12(9)23-11(10)14(21)22/h5-6,18H,1-4,15H2,(H,19,20)(H,21,22)
InChIKeyNFKLVUJJLJOREJ-UHFFFAOYSA-N
MW337.36 g/mol
LogP1.24
Rot. Bonds3

About 3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid

3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid (PubChem CID 22269207) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is 3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid
PubChem CID22269207
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Name3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid
SMILESNc1c(C(=O)O)sc2nc(N3CCC(O)CC3)cc(C(=O)O)c12
InChIInChI=1S/C14H15N3O5S/c15-10-9-7(13(19)20)5-8(17-3-1-6(18)2-4-17)16-12(9)23-11(10)14(21)22/h5-6,18H,1-4,15H2,(H,19,20)(H,21,22)
InChIKeyNFKLVUJJLJOREJ-UHFFFAOYSA-N
XLogP1.24
TPSA136.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid?
The IUPAC name of 3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid (CID 22269207) is 3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid.
What is the SMILES notation for 3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid?
The canonical SMILES for 3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid is Nc1c(C(=O)O)sc2nc(N3CCC(O)CC3)cc(C(=O)O)c12.
What is the InChIKey of 3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid?
The InChIKey is NFKLVUJJLJOREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c15-10-9-7(13(19)20)5-8(17-3-1-6(18)2-4-17)16-12(9)23-11(10)14(21)22/h5-6,18H,1-4,15H2,(H,19,20)(H,21,22).
What are the key properties of 3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid?
3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid has a molecular weight of 337.36 g/mol, XLogP of 1.24, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid is sourced from PubChem (CID 22269207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).