3-amino-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N,5-N-dimethyl-6-propylthieno[2,3-b]pyridine-2,5-dicarboxamide

C24H30N4O4S — CID 163649770

IUPAC3-amino-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N,5-N-dimethyl-6-propylthieno[2,3-b]pyridine-2,5-dicarboxamide
SMILESCCCc1nc2sc(C(=O)NCCc3ccc(OC)c(OC)c3)c(N)c2cc1C(=O)N(C)C
InChIInChI=1S/C24H30N4O4S/c1-6-7-17-15(24(30)28(2)3)13-16-20(25)21(33-23(16)27-17)22(29)26-11-10-14-8-9-18(31-4)19(12-14)32-5/h8-9,12-13H,6-7,10-11,25H2,1-5H3,(H,26,29)
InChIKeyILGPODQWWBHFTM-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.52
Rot. Bonds9

About 3-amino-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N,5-N-dimethyl-6-propylthieno[2,3-b]pyridine-2,5-dicarboxamide

3-amino-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N,5-N-dimethyl-6-propylthieno[2,3-b]pyridine-2,5-dicarboxamide (PubChem CID 163649770) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 3-amino-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N,5-N-dimethyl-6-propylthieno[2,3-b]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name3-amino-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N,5-N-dimethyl-6-propylthieno[2,3-b]pyridine-2,5-dicarboxamide
PubChem CID163649770
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name3-amino-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N,5-N-dimethyl-6-propylthieno[2,3-b]pyridine-2,5-dicarboxamide
SMILESCCCc1nc2sc(C(=O)NCCc3ccc(OC)c(OC)c3)c(N)c2cc1C(=O)N(C)C
InChIInChI=1S/C24H30N4O4S/c1-6-7-17-15(24(30)28(2)3)13-16-20(25)21(33-23(16)27-17)22(29)26-11-10-14-8-9-18(31-4)19(12-14)32-5/h8-9,12-13H,6-7,10-11,25H2,1-5H3,(H,26,29)
InChIKeyILGPODQWWBHFTM-UHFFFAOYSA-N
XLogP3.52
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N,5-N-dimethyl-6-propylthieno[2,3-b]pyridine-2,5-dicarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N,5-N-dimethyl-6-propylthieno[2,3-b]pyridine-2,5-dicarboxamide?
The IUPAC name of 3-amino-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N,5-N-dimethyl-6-propylthieno[2,3-b]pyridine-2,5-dicarboxamide (CID 163649770) is 3-amino-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N,5-N-dimethyl-6-propylthieno[2,3-b]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 3-amino-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N,5-N-dimethyl-6-propylthieno[2,3-b]pyridine-2,5-dicarboxamide?
The canonical SMILES for 3-amino-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N,5-N-dimethyl-6-propylthieno[2,3-b]pyridine-2,5-dicarboxamide is CCCc1nc2sc(C(=O)NCCc3ccc(OC)c(OC)c3)c(N)c2cc1C(=O)N(C)C.
What is the InChIKey of 3-amino-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N,5-N-dimethyl-6-propylthieno[2,3-b]pyridine-2,5-dicarboxamide?
The InChIKey is ILGPODQWWBHFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-6-7-17-15(24(30)28(2)3)13-16-20(25)21(33-23(16)27-17)22(29)26-11-10-14-8-9-18(31-4)19(12-14)32-5/h8-9,12-13H,6-7,10-11,25H2,1-5H3,(H,26,29).
What are the key properties of 3-amino-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N,5-N-dimethyl-6-propylthieno[2,3-b]pyridine-2,5-dicarboxamide?
3-amino-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N,5-N-dimethyl-6-propylthieno[2,3-b]pyridine-2,5-dicarboxamide has a molecular weight of 470.60 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N,5-N-dimethyl-6-propylthieno[2,3-b]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 163649770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).