3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

C23H19N3O3S — CID 155812590

IUPAC3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc(C)c(C(=O)c4ccccc4)cc3c2N)cc1
InChIInChI=1S/C23H19N3O3S/c1-13-17(20(27)14-6-4-3-5-7-14)12-18-19(24)21(30-23(18)25-13)22(28)26-15-8-10-16(29-2)11-9-15/h3-12H,24H2,1-2H3,(H,26,28)
InChIKeyKRUNPAUNWRDUMG-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.68
Rot. Bonds5

About 3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155812590) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID155812590
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc(C)c(C(=O)c4ccccc4)cc3c2N)cc1
InChIInChI=1S/C23H19N3O3S/c1-13-17(20(27)14-6-4-3-5-7-14)12-18-19(24)21(30-23(18)25-13)22(28)26-15-8-10-16(29-2)11-9-15/h3-12H,24H2,1-2H3,(H,26,28)
InChIKeyKRUNPAUNWRDUMG-UHFFFAOYSA-N
XLogP4.68
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162395187
3-amino-N-(4-methoxyphenyl)-6-methyl-5-[(E)-3-phenylprop-2-enoyl]thieno[2,3-b]pyridine-2-carboxamide
CID 155927135
3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162421447
3-amino-N-(4-methoxyphenyl)-5-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155201860
3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1132039
3-amino-N-(4-bromophenyl)-5-[hydroxy-(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162421469
ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate
CID 171133227
3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide
CID 1156787
3-amino-N-(2-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155927840
3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162421381
5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 35177368
N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165281

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 155812590) is 3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(NC(=O)c2sc3nc(C)c(C(=O)c4ccccc4)cc3c2N)cc1.
What is the InChIKey of 3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KRUNPAUNWRDUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-13-17(20(27)14-6-4-3-5-7-14)12-18-19(24)21(30-23(18)25-13)22(28)26-15-8-10-16(29-2)11-9-15/h3-12H,24H2,1-2H3,(H,26,28).
What are the key properties of 3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155812590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).