3-amino-N-(2-ethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

C23H21N3O3S — CID 1004026

IUPAC3-amino-N-(2-ethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1sc2nc(-c3ccc(OC)cc3)ccc2c1N
InChIInChI=1S/C23H21N3O3S/c1-3-29-19-7-5-4-6-18(19)25-22(27)21-20(24)16-12-13-17(26-23(16)30-21)14-8-10-15(28-2)11-9-14/h4-13H,3,24H2,1-2H3,(H,25,27)
InChIKeyIVMCHBXRACIMNY-UHFFFAOYSA-N
MW419.51 g/mol
LogP5.21
Rot. Bonds6

About 3-amino-N-(2-ethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2-ethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1004026) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 3-amino-N-(2-ethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-ethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1004026
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name3-amino-N-(2-ethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1sc2nc(-c3ccc(OC)cc3)ccc2c1N
InChIInChI=1S/C23H21N3O3S/c1-3-29-19-7-5-4-6-18(19)25-22(27)21-20(24)16-12-13-17(26-23(16)30-21)14-8-10-15(28-2)11-9-14/h4-13H,3,24H2,1-2H3,(H,25,27)
InChIKeyIVMCHBXRACIMNY-UHFFFAOYSA-N
XLogP5.21
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.51
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-ethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1004026) is 3-amino-N-(2-ethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-ethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-ethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is CCOc1ccccc1NC(=O)c1sc2nc(-c3ccc(OC)cc3)ccc2c1N.
What is the InChIKey of 3-amino-N-(2-ethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IVMCHBXRACIMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-3-29-19-7-5-4-6-18(19)25-22(27)21-20(24)16-12-13-17(26-23(16)30-21)14-8-10-15(28-2)11-9-14/h4-13H,3,24H2,1-2H3,(H,25,27).
What are the key properties of 3-amino-N-(2-ethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2-ethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1004026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).