2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide

C17H17N5OS — CID 71978017

IUPAC2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(c2ccnc3ccsc23)CC1
InChIInChI=1S/C17H17N5OS/c18-16(23)12-2-1-5-20-17(12)22-9-7-21(8-10-22)14-3-6-19-13-4-11-24-15(13)14/h1-6,11H,7-10H2,(H2,18,23)
InChIKeyJYBQKICOLPXZPU-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.12
Rot. Bonds3

About 2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide

2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 71978017) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID71978017
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(c2ccnc3ccsc23)CC1
InChIInChI=1S/C17H17N5OS/c18-16(23)12-2-1-5-20-17(12)22-9-7-21(8-10-22)14-3-6-19-13-4-11-24-15(13)14/h1-6,11H,7-10H2,(H2,18,23)
InChIKeyJYBQKICOLPXZPU-UHFFFAOYSA-N
XLogP2.12
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide (CID 71978017) is 2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCN(c2ccnc3ccsc23)CC1.
What is the InChIKey of 2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is JYBQKICOLPXZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c18-16(23)12-2-1-5-20-17(12)22-9-7-21(8-10-22)14-3-6-19-13-4-11-24-15(13)14/h1-6,11H,7-10H2,(H2,18,23).
What are the key properties of 2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide?
2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 71978017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).