3-amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide

C13H16N4OS — CID 11778213

IUPAC3-amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nccc(N3CCCCC3)c2c1N
InChIInChI=1S/C13H16N4OS/c14-10-9-8(17-6-2-1-3-7-17)4-5-16-13(9)19-11(10)12(15)18/h4-5H,1-3,6-7,14H2,(H2,15,18)
InChIKeyYRZKCGCJNBZWMF-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.97
Rot. Bonds2

About 3-amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 11778213) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID11778213
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name3-amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nccc(N3CCCCC3)c2c1N
InChIInChI=1S/C13H16N4OS/c14-10-9-8(17-6-2-1-3-7-17)4-5-16-13(9)19-11(10)12(15)18/h4-5H,1-3,6-7,14H2,(H2,15,18)
InChIKeyYRZKCGCJNBZWMF-UHFFFAOYSA-N
XLogP1.97
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide (CID 11778213) is 3-amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nccc(N3CCCCC3)c2c1N.
What is the InChIKey of 3-amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YRZKCGCJNBZWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c14-10-9-8(17-6-2-1-3-7-17)4-5-16-13(9)19-11(10)12(15)18/h4-5H,1-3,6-7,14H2,(H2,15,18).
What are the key properties of 3-amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11778213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).