4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

C13H16N4OS — CID 52949847

IUPAC4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2ccsc12
InChIInChI=1S/C13H16N4OS/c14-12(18)10-7-16-13(9-3-5-19-11(9)10)17-8-2-1-4-15-6-8/h3,5,7-8,15H,1-2,4,6H2,(H2,14,18)(H,16,17)/t8-/m0/s1
InChIKeyWCTOFJSZDHRZMO-QMMMGPOBSA-N
MW276.36 g/mol
LogP1.56
Rot. Bonds3

About 4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52949847) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID52949847
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2ccsc12
InChIInChI=1S/C13H16N4OS/c14-12(18)10-7-16-13(9-3-5-19-11(9)10)17-8-2-1-4-15-6-8/h3,5,7-8,15H,1-2,4,6H2,(H2,14,18)(H,16,17)/t8-/m0/s1
InChIKeyWCTOFJSZDHRZMO-QMMMGPOBSA-N
XLogP1.56
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 52949847) is 4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N[C@H]2CCCNC2)c2ccsc12.
What is the InChIKey of 4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is WCTOFJSZDHRZMO-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16N4OS/c14-12(18)10-7-16-13(9-3-5-19-11(9)10)17-8-2-1-4-15-6-8/h3,5,7-8,15H,1-2,4,6H2,(H2,14,18)(H,16,17)/t8-/m0/s1.
What are the key properties of 4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52949847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).