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

C24H23N3O3S — CID 1003945

IUPAC3-amino-6-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)NCCc4ccccc4)sc3n2)cc1OC
InChIInChI=1S/C24H23N3O3S/c1-29-19-11-8-16(14-20(19)30-2)18-10-9-17-21(25)22(31-24(17)27-18)23(28)26-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13,25H2,1-2H3,(H,26,28)
InChIKeyQMXYMZYXUASCHL-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.54
Rot. Bonds7

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

3-amino-6-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1003945) 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-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1003945
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name3-amino-6-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)NCCc4ccccc4)sc3n2)cc1OC
InChIInChI=1S/C24H23N3O3S/c1-29-19-11-8-16(14-20(19)30-2)18-10-9-17-21(25)22(31-24(17)27-18)23(28)26-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13,25H2,1-2H3,(H,26,28)
InChIKeyQMXYMZYXUASCHL-UHFFFAOYSA-N
XLogP4.54
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.54
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-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1003945) is 3-amino-6-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2ccc3c(N)c(C(=O)NCCc4ccccc4)sc3n2)cc1OC.
What is the InChIKey of 3-amino-6-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QMXYMZYXUASCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-29-19-11-8-16(14-20(19)30-2)18-10-9-17-21(25)22(31-24(17)27-18)23(28)26-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13,25H2,1-2H3,(H,26,28).
What are the key properties of 3-amino-6-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 4.54, 7 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-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1003945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).