3-amino-N-benzylthieno[2,3-b]pyridine-2-carboxamide

C15H13N3OS — CID 41316292

IUPAC3-amino-N-benzylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCc2ccccc2)sc2ncccc12
InChIInChI=1S/C15H13N3OS/c16-12-11-7-4-8-17-15(11)20-13(12)14(19)18-9-10-5-2-1-3-6-10/h1-8H,9,16H2,(H,18,19)
InChIKeyNKXCJJKNCZKKEI-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.81
Rot. Bonds3

About 3-amino-N-benzylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-benzylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 41316292) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-amino-N-benzylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-benzylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID41316292
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name3-amino-N-benzylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCc2ccccc2)sc2ncccc12
InChIInChI=1S/C15H13N3OS/c16-12-11-7-4-8-17-15(11)20-13(12)14(19)18-9-10-5-2-1-3-6-10/h1-8H,9,16H2,(H,18,19)
InChIKeyNKXCJJKNCZKKEI-UHFFFAOYSA-N
XLogP2.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-benzylthieno[2,3-b]pyridine-2-carboxamide (CID 41316292) is 3-amino-N-benzylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-benzylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-benzylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)NCc2ccccc2)sc2ncccc12.
What is the InChIKey of 3-amino-N-benzylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NKXCJJKNCZKKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c16-12-11-7-4-8-17-15(11)20-13(12)14(19)18-9-10-5-2-1-3-6-10/h1-8H,9,16H2,(H,18,19).
What are the key properties of 3-amino-N-benzylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-benzylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 41316292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).