3-amino-N-[2-(3-ethyl-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C23H29N5OS — CID 153311069

IUPAC3-amino-N-[2-(3-ethyl-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCc1cc(CCNC(=O)c2sc3nc(C)ccc3c2N)ccc1N1CCNCC1
InChIInChI=1S/C23H29N5OS/c1-3-17-14-16(5-7-19(17)28-12-10-25-11-13-28)8-9-26-22(29)21-20(24)18-6-4-15(2)27-23(18)30-21/h4-7,14,25H,3,8-13,24H2,1-2H3,(H,26,29)
InChIKeyJCDJTKAVVRDFIY-UHFFFAOYSA-N
MW423.59 g/mol
LogP3.13
Rot. Bonds6

About 3-amino-N-[2-(3-ethyl-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-(3-ethyl-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 153311069) has the molecular formula C23H29N5OS and a molecular weight of 423.59 g/mol. Its IUPAC name is 3-amino-N-[2-(3-ethyl-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-ethyl-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID153311069
Molecular FormulaC23H29N5OS
Molecular Weight423.59 g/mol
Exact Mass423.21
IUPAC Name3-amino-N-[2-(3-ethyl-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCc1cc(CCNC(=O)c2sc3nc(C)ccc3c2N)ccc1N1CCNCC1
InChIInChI=1S/C23H29N5OS/c1-3-17-14-16(5-7-19(17)28-12-10-25-11-13-28)8-9-26-22(29)21-20(24)18-6-4-15(2)27-23(18)30-21/h4-7,14,25H,3,8-13,24H2,1-2H3,(H,26,29)
InChIKeyJCDJTKAVVRDFIY-UHFFFAOYSA-N
XLogP3.13
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-ethyl-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(3-ethyl-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 153311069) is 3-amino-N-[2-(3-ethyl-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3-ethyl-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3-ethyl-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is CCc1cc(CCNC(=O)c2sc3nc(C)ccc3c2N)ccc1N1CCNCC1.
What is the InChIKey of 3-amino-N-[2-(3-ethyl-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JCDJTKAVVRDFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5OS/c1-3-17-14-16(5-7-19(17)28-12-10-25-11-13-28)8-9-26-22(29)21-20(24)18-6-4-15(2)27-23(18)30-21/h4-7,14,25H,3,8-13,24H2,1-2H3,(H,26,29).
What are the key properties of 3-amino-N-[2-(3-ethyl-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-(3-ethyl-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 423.59 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-ethyl-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 153311069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).