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

C25H25N3O4S — CID 1004073

IUPAC3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)NCCc4ccc(OC)c(OC)c4)sc3n2)cc1
InChIInChI=1S/C25H25N3O4S/c1-30-17-7-5-16(6-8-17)19-10-9-18-22(26)23(33-25(18)28-19)24(29)27-13-12-15-4-11-20(31-2)21(14-15)32-3/h4-11,14H,12-13,26H2,1-3H3,(H,27,29)
InChIKeyVXTHNGBSVSVLGU-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.54
Rot. Bonds8

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

3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1004073) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1004073
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)NCCc4ccc(OC)c(OC)c4)sc3n2)cc1
InChIInChI=1S/C25H25N3O4S/c1-30-17-7-5-16(6-8-17)19-10-9-18-22(26)23(33-25(18)28-19)24(29)27-13-12-15-4-11-20(31-2)21(14-15)32-3/h4-11,14H,12-13,26H2,1-3H3,(H,27,29)
InChIKeyVXTHNGBSVSVLGU-UHFFFAOYSA-N
XLogP4.54
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1004073) is 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2ccc3c(N)c(C(=O)NCCc4ccc(OC)c(OC)c4)sc3n2)cc1.
What is the InChIKey of 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VXTHNGBSVSVLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-30-17-7-5-16(6-8-17)19-10-9-18-22(26)23(33-25(18)28-19)24(29)27-13-12-15-4-11-20(31-2)21(14-15)32-3/h4-11,14H,12-13,26H2,1-3H3,(H,27,29).
What are the key properties of 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1004073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).