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

C24H23N3O3S — CID 1272771

IUPAC3-amino-6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C)cc4C)sc3n2)cc1OC
InChIInChI=1S/C24H23N3O3S/c1-13-5-8-17(14(2)11-13)26-23(28)22-21(25)16-7-9-18(27-24(16)31-22)15-6-10-19(29-3)20(12-15)30-4/h5-12H,25H2,1-4H3,(H,26,28)
InChIKeyAUFKXQQBEAXZES-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.43
Rot. Bonds5

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

3-amino-6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1272771) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 3-amino-6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1272771
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name3-amino-6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C)cc4C)sc3n2)cc1OC
InChIInChI=1S/C24H23N3O3S/c1-13-5-8-17(14(2)11-13)26-23(28)22-21(25)16-7-9-18(27-24(16)31-22)15-6-10-19(29-3)20(12-15)30-4/h5-12H,25H2,1-4H3,(H,26,28)
InChIKeyAUFKXQQBEAXZES-UHFFFAOYSA-N
XLogP5.43
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1272771) is 3-amino-6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C)cc4C)sc3n2)cc1OC.
What is the InChIKey of 3-amino-6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AUFKXQQBEAXZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-13-5-8-17(14(2)11-13)26-23(28)22-21(25)16-7-9-18(27-24(16)31-22)15-6-10-19(29-3)20(12-15)30-4/h5-12H,25H2,1-4H3,(H,26,28).
What are the key properties of 3-amino-6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1272771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).