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

C23H29N5O2S — CID 153310983

IUPAC3-amino-N-[2-(3-ethoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1cc(CCNC(=O)c2sc3nc(C)ccc3c2N)ccc1N1CCNCC1
InChIInChI=1S/C23H29N5O2S/c1-3-30-19-14-16(5-7-18(19)28-12-10-25-11-13-28)8-9-26-22(29)21-20(24)17-6-4-15(2)27-23(17)31-21/h4-7,14,25H,3,8-13,24H2,1-2H3,(H,26,29)
InChIKeySAZKWMZTWZTFMM-UHFFFAOYSA-N
MW439.59 g/mol
LogP2.97
Rot. Bonds7

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

3-amino-N-[2-(3-ethoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 153310983) has the molecular formula C23H29N5O2S and a molecular weight of 439.59 g/mol. Its IUPAC name is 3-amino-N-[2-(3-ethoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-ethoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID153310983
Molecular FormulaC23H29N5O2S
Molecular Weight439.59 g/mol
Exact Mass439.20
IUPAC Name3-amino-N-[2-(3-ethoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1cc(CCNC(=O)c2sc3nc(C)ccc3c2N)ccc1N1CCNCC1
InChIInChI=1S/C23H29N5O2S/c1-3-30-19-14-16(5-7-18(19)28-12-10-25-11-13-28)8-9-26-22(29)21-20(24)17-6-4-15(2)27-23(17)31-21/h4-7,14,25H,3,8-13,24H2,1-2H3,(H,26,29)
InChIKeySAZKWMZTWZTFMM-UHFFFAOYSA-N
XLogP2.97
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-ethoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(3-ethoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 153310983) is 3-amino-N-[2-(3-ethoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3-ethoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3-ethoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is CCOc1cc(CCNC(=O)c2sc3nc(C)ccc3c2N)ccc1N1CCNCC1.
What is the InChIKey of 3-amino-N-[2-(3-ethoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is SAZKWMZTWZTFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c1-3-30-19-14-16(5-7-18(19)28-12-10-25-11-13-28)8-9-26-22(29)21-20(24)17-6-4-15(2)27-23(17)31-21/h4-7,14,25H,3,8-13,24H2,1-2H3,(H,26,29).
What are the key properties of 3-amino-N-[2-(3-ethoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-(3-ethoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 439.59 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-ethoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 153310983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).