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

C23H21N3O2S — CID 1004082

IUPAC3-amino-6-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)NCc4ccc(C)cc4)sc3n2)cc1
InChIInChI=1S/C23H21N3O2S/c1-14-3-5-15(6-4-14)13-25-22(27)21-20(24)18-11-12-19(26-23(18)29-21)16-7-9-17(28-2)10-8-16/h3-12H,13,24H2,1-2H3,(H,25,27)
InChIKeySGFQUGPMDXRHQI-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.79
Rot. Bonds5

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

3-amino-6-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1004082) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 3-amino-6-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1004082
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name3-amino-6-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)NCc4ccc(C)cc4)sc3n2)cc1
InChIInChI=1S/C23H21N3O2S/c1-14-3-5-15(6-4-14)13-25-22(27)21-20(24)18-11-12-19(26-23(18)29-21)16-7-9-17(28-2)10-8-16/h3-12H,13,24H2,1-2H3,(H,25,27)
InChIKeySGFQUGPMDXRHQI-UHFFFAOYSA-N
XLogP4.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide (CID 1004082) is 3-amino-6-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2ccc3c(N)c(C(=O)NCc4ccc(C)cc4)sc3n2)cc1.
What is the InChIKey of 3-amino-6-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is SGFQUGPMDXRHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-14-3-5-15(6-4-14)13-25-22(27)21-20(24)18-11-12-19(26-23(18)29-21)16-7-9-17(28-2)10-8-16/h3-12H,13,24H2,1-2H3,(H,25,27).
What are the key properties of 3-amino-6-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1004082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).