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

C14H16N4O4S — CID 22269198

IUPAC3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid
SMILESNc1c(C(=O)O)sc2nc(N3CCC(N)CC3)cc(C(=O)O)c12
InChIInChI=1S/C14H16N4O4S/c15-6-1-3-18(4-2-6)8-5-7(13(19)20)9-10(16)11(14(21)22)23-12(9)17-8/h5-6H,1-4,15-16H2,(H,19,20)(H,21,22)
InChIKeyUIUZFIKBVKTRPP-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.20
Rot. Bonds3

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

3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid (PubChem CID 22269198) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid
PubChem CID22269198
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid
SMILESNc1c(C(=O)O)sc2nc(N3CCC(N)CC3)cc(C(=O)O)c12
InChIInChI=1S/C14H16N4O4S/c15-6-1-3-18(4-2-6)8-5-7(13(19)20)9-10(16)11(14(21)22)23-12(9)17-8/h5-6H,1-4,15-16H2,(H,19,20)(H,21,22)
InChIKeyUIUZFIKBVKTRPP-UHFFFAOYSA-N
XLogP1.20
TPSA142.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid
CID 22269207
3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 22278563
3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 22278581
3-amino-6-[(3S)-3-aminopyrrolidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 23400853
3-amino-6-[(3R)-3-aminopyrrolidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 142776840
3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 22278572
3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23400967
3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22278580
3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22269064
3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid
CID 121210143
3-amino-6-[4-(methylcarbamoylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22278562
3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 22269131

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid?
The IUPAC name of 3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid (CID 22269198) is 3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid.
What is the SMILES notation for 3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid?
The canonical SMILES for 3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid is Nc1c(C(=O)O)sc2nc(N3CCC(N)CC3)cc(C(=O)O)c12.
What is the InChIKey of 3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid?
The InChIKey is UIUZFIKBVKTRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c15-6-1-3-18(4-2-6)8-5-7(13(19)20)9-10(16)11(14(21)22)23-12(9)17-8/h5-6H,1-4,15-16H2,(H,19,20)(H,21,22).
What are the key properties of 3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid?
3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid has a molecular weight of 336.37 g/mol, XLogP of 1.20, 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-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid is sourced from PubChem (CID 22269198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).