3-amino-4-phenyl-N-propyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

C21H19N3OS2 — CID 90051611

IUPAC3-amino-4-phenyl-N-propyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCNC(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C21H19N3OS2/c1-2-10-23-20(25)19-18(22)17-14(13-7-4-3-5-8-13)12-15(24-21(17)27-19)16-9-6-11-26-16/h3-9,11-12H,2,10,22H2,1H3,(H,23,25)
InChIKeyULMPRHYHVRJCDO-UHFFFAOYSA-N
MW393.54 g/mol
LogP5.41
Rot. Bonds5

About 3-amino-4-phenyl-N-propyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-4-phenyl-N-propyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 90051611) has the molecular formula C21H19N3OS2 and a molecular weight of 393.54 g/mol. Its IUPAC name is 3-amino-4-phenyl-N-propyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-phenyl-N-propyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID90051611
Molecular FormulaC21H19N3OS2
Molecular Weight393.54 g/mol
Exact Mass393.10
IUPAC Name3-amino-4-phenyl-N-propyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCNC(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C21H19N3OS2/c1-2-10-23-20(25)19-18(22)17-14(13-7-4-3-5-8-13)12-15(24-21(17)27-19)16-9-6-11-26-16/h3-9,11-12H,2,10,22H2,1H3,(H,23,25)
InChIKeyULMPRHYHVRJCDO-UHFFFAOYSA-N
XLogP5.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.54
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-phenyl-N-propyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-phenyl-N-propyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 90051611) is 3-amino-4-phenyl-N-propyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-phenyl-N-propyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-phenyl-N-propyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is CCCNC(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.
What is the InChIKey of 3-amino-4-phenyl-N-propyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ULMPRHYHVRJCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS2/c1-2-10-23-20(25)19-18(22)17-14(13-7-4-3-5-8-13)12-15(24-21(17)27-19)16-9-6-11-26-16/h3-9,11-12H,2,10,22H2,1H3,(H,23,25).
What are the key properties of 3-amino-4-phenyl-N-propyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-phenyl-N-propyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-phenyl-N-propyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 90051611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).