3-amino-6-(methylamino)-N-[2-(4-piperidin-4-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

C22H27N5OS — CID 153311046

IUPAC3-amino-6-(methylamino)-N-[2-(4-piperidin-4-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCNc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCNCC4)cc3)sc2n1
InChIInChI=1S/C22H27N5OS/c1-24-18-7-6-17-19(23)20(29-22(17)27-18)21(28)26-13-8-14-2-4-15(5-3-14)16-9-11-25-12-10-16/h2-7,16,25H,8-13,23H2,1H3,(H,24,27)(H,26,28)
InChIKeyKXEGEIQMOFHRAW-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.36
Rot. Bonds6

About 3-amino-6-(methylamino)-N-[2-(4-piperidin-4-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(methylamino)-N-[2-(4-piperidin-4-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 153311046) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is 3-amino-6-(methylamino)-N-[2-(4-piperidin-4-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(methylamino)-N-[2-(4-piperidin-4-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID153311046
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Name3-amino-6-(methylamino)-N-[2-(4-piperidin-4-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCNc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCNCC4)cc3)sc2n1
InChIInChI=1S/C22H27N5OS/c1-24-18-7-6-17-19(23)20(29-22(17)27-18)21(28)26-13-8-14-2-4-15(5-3-14)16-9-11-25-12-10-16/h2-7,16,25H,8-13,23H2,1H3,(H,24,27)(H,26,28)
InChIKeyKXEGEIQMOFHRAW-UHFFFAOYSA-N
XLogP3.36
TPSA92.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(methylamino)-N-[2-(4-piperidin-4-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(methylamino)-N-[2-(4-piperidin-4-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 153311046) is 3-amino-6-(methylamino)-N-[2-(4-piperidin-4-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(methylamino)-N-[2-(4-piperidin-4-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(methylamino)-N-[2-(4-piperidin-4-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is CNc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCNCC4)cc3)sc2n1.
What is the InChIKey of 3-amino-6-(methylamino)-N-[2-(4-piperidin-4-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KXEGEIQMOFHRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-24-18-7-6-17-19(23)20(29-22(17)27-18)21(28)26-13-8-14-2-4-15(5-3-14)16-9-11-25-12-10-16/h2-7,16,25H,8-13,23H2,1H3,(H,24,27)(H,26,28).
What are the key properties of 3-amino-6-(methylamino)-N-[2-(4-piperidin-4-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(methylamino)-N-[2-(4-piperidin-4-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 3.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(methylamino)-N-[2-(4-piperidin-4-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 153311046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).