3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

C20H17N3O3S2 — CID 1003456

IUPAC3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)c(OC)c1
InChIInChI=1S/C20H17N3O3S2/c1-25-11-5-7-13(15(10-11)26-2)22-19(24)18-17(21)12-6-8-14(23-20(12)28-18)16-4-3-9-27-16/h3-10H,21H2,1-2H3,(H,22,24)
InChIKeyQYKBZDAUSMFJHL-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.88
Rot. Bonds5

About 3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1003456) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1003456
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC Name3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)c(OC)c1
InChIInChI=1S/C20H17N3O3S2/c1-25-11-5-7-13(15(10-11)26-2)22-19(24)18-17(21)12-6-8-14(23-20(12)28-18)16-4-3-9-27-16/h3-10H,21H2,1-2H3,(H,22,24)
InChIKeyQYKBZDAUSMFJHL-UHFFFAOYSA-N
XLogP4.88
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-(2,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23888867
3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003444
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003782
3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1035102
3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1239621
3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
CID 1207174
N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090
3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 170044369
3-amino-6-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004083
3-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 44616017
3-amino-N-(2-iodophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745753
6-amino-N-(2,4-dimethoxyphenyl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 1025275

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 1003456) is 3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)c(OC)c1.
What is the InChIKey of 3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QYKBZDAUSMFJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c1-25-11-5-7-13(15(10-11)26-2)22-19(24)18-17(21)12-6-8-14(23-20(12)28-18)16-4-3-9-27-16/h3-10H,21H2,1-2H3,(H,22,24).
What are the key properties of 3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1003456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).