3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide

C17H24N6O2S — CID 69131930

IUPAC3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)C(C(N)=O)N1CCN(c2ccnc3sc(C(N)=O)c(N)c23)CC1
InChIInChI=1S/C17H24N6O2S/c1-9(2)13(15(19)24)23-7-5-22(6-8-23)10-3-4-21-17-11(10)12(18)14(26-17)16(20)25/h3-4,9,13H,5-8,18H2,1-2H3,(H2,19,24)(H2,20,25)
InChIKeyRJMBLQDOURRPIF-UHFFFAOYSA-N
MW376.49 g/mol
LogP0.61
Rot. Bonds5

About 3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 69131930) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is 3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID69131930
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)C(C(N)=O)N1CCN(c2ccnc3sc(C(N)=O)c(N)c23)CC1
InChIInChI=1S/C17H24N6O2S/c1-9(2)13(15(19)24)23-7-5-22(6-8-23)10-3-4-21-17-11(10)12(18)14(26-17)16(20)25/h3-4,9,13H,5-8,18H2,1-2H3,(H2,19,24)(H2,20,25)
InChIKeyRJMBLQDOURRPIF-UHFFFAOYSA-N
XLogP0.61
TPSA131.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 69131930) is 3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide is CC(C)C(C(N)=O)N1CCN(c2ccnc3sc(C(N)=O)c(N)c23)CC1.
What is the InChIKey of 3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RJMBLQDOURRPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-9(2)13(15(19)24)23-7-5-22(6-8-23)10-3-4-21-17-11(10)12(18)14(26-17)16(20)25/h3-4,9,13H,5-8,18H2,1-2H3,(H2,19,24)(H2,20,25).
What are the key properties of 3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 69131930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).