3-amino-4-methyl-6-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide

C13H17N5OS — CID 45485755

IUPAC3-amino-4-methyl-6-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(N2CCNCC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C13H17N5OS/c1-7-6-8(18-4-2-16-3-5-18)17-13-9(7)10(14)11(20-13)12(15)19/h6,16H,2-5,14H2,1H3,(H2,15,19)
InChIKeyDDLJAULLOOCAIF-UHFFFAOYSA-N
MW291.38 g/mol
LogP0.70
Rot. Bonds2

About 3-amino-4-methyl-6-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-4-methyl-6-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 45485755) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-amino-4-methyl-6-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methyl-6-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID45485755
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name3-amino-4-methyl-6-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(N2CCNCC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C13H17N5OS/c1-7-6-8(18-4-2-16-3-5-18)17-13-9(7)10(14)11(20-13)12(15)19/h6,16H,2-5,14H2,1H3,(H2,15,19)
InChIKeyDDLJAULLOOCAIF-UHFFFAOYSA-N
XLogP0.70
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-6-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-methyl-6-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide (CID 45485755) is 3-amino-4-methyl-6-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-methyl-6-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-methyl-6-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(N2CCNCC2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-4-methyl-6-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DDLJAULLOOCAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-7-6-8(18-4-2-16-3-5-18)17-13-9(7)10(14)11(20-13)12(15)19/h6,16H,2-5,14H2,1H3,(H2,15,19).
What are the key properties of 3-amino-4-methyl-6-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-methyl-6-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-6-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 45485755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).