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

C21H18N4O3S — CID 2038264

IUPAC3-amino-N-(3,4-dimethoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc(-c4cccnc4)ccc3c2N)cc1OC
InChIInChI=1S/C21H18N4O3S/c1-27-16-8-5-13(10-17(16)28-2)24-20(26)19-18(22)14-6-7-15(25-21(14)29-19)12-4-3-9-23-11-12/h3-11H,22H2,1-2H3,(H,24,26)
InChIKeyCMMNPBHEUAWBPK-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.21
Rot. Bonds5

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

3-amino-N-(3,4-dimethoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 2038264) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID2038264
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name3-amino-N-(3,4-dimethoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc(-c4cccnc4)ccc3c2N)cc1OC
InChIInChI=1S/C21H18N4O3S/c1-27-16-8-5-13(10-17(16)28-2)24-20(26)19-18(22)14-6-7-15(25-21(14)29-19)12-4-3-9-23-11-12/h3-11H,22H2,1-2H3,(H,24,26)
InChIKeyCMMNPBHEUAWBPK-UHFFFAOYSA-N
XLogP4.21
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3,4-dimethoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide (CID 2038264) is 3-amino-N-(3,4-dimethoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3,4-dimethoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(NC(=O)c2sc3nc(-c4cccnc4)ccc3c2N)cc1OC.
What is the InChIKey of 3-amino-N-(3,4-dimethoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CMMNPBHEUAWBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-27-16-8-5-13(10-17(16)28-2)24-20(26)19-18(22)14-6-7-15(25-21(14)29-19)12-4-3-9-23-11-12/h3-11H,22H2,1-2H3,(H,24,26).
What are the key properties of 3-amino-N-(3,4-dimethoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3,4-dimethoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dimethoxyphenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 2038264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).