3-amino-6-piperazin-1-yl-4-propylthieno[2,3-b]pyridine-2-carboxamide

C15H21N5OS — CID 11723489

IUPAC3-amino-6-piperazin-1-yl-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCNCC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C15H21N5OS/c1-2-3-9-8-10(20-6-4-18-5-7-20)19-15-11(9)12(16)13(22-15)14(17)21/h8,18H,2-7,16H2,1H3,(H2,17,21)
InChIKeyMNHPQFWACBMBQT-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.34
Rot. Bonds4

About 3-amino-6-piperazin-1-yl-4-propylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-piperazin-1-yl-4-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 11723489) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-amino-6-piperazin-1-yl-4-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-piperazin-1-yl-4-propylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID11723489
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name3-amino-6-piperazin-1-yl-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCNCC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C15H21N5OS/c1-2-3-9-8-10(20-6-4-18-5-7-20)19-15-11(9)12(16)13(22-15)14(17)21/h8,18H,2-7,16H2,1H3,(H2,17,21)
InChIKeyMNHPQFWACBMBQT-UHFFFAOYSA-N
XLogP1.34
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-piperazin-1-yl-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-piperazin-1-yl-4-propylthieno[2,3-b]pyridine-2-carboxamide (CID 11723489) is 3-amino-6-piperazin-1-yl-4-propylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-piperazin-1-yl-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-piperazin-1-yl-4-propylthieno[2,3-b]pyridine-2-carboxamide is CCCc1cc(N2CCNCC2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-6-piperazin-1-yl-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MNHPQFWACBMBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-2-3-9-8-10(20-6-4-18-5-7-20)19-15-11(9)12(16)13(22-15)14(17)21/h8,18H,2-7,16H2,1H3,(H2,17,21).
What are the key properties of 3-amino-6-piperazin-1-yl-4-propylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-piperazin-1-yl-4-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-piperazin-1-yl-4-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11723489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).