potassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate

C19H26KN3O3S — CID 42615921

IUPACpotassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate
SMILESCC(C)n1c([O-])c(C(=O)NCCCN2CCCCC2)c(=O)c2ccsc21.[K+]
InChIInChI=1S/C19H27N3O3S.K/c1-13(2)22-18(25)15(16(23)14-7-12-26-19(14)22)17(24)20-8-6-11-21-9-4-3-5-10-21;/h7,12-13,25H,3-6,8-11H2,1-2H3,(H,20,24);/q;+1/p-1
InChIKeyFUMWSKZPASYGQR-UHFFFAOYSA-M
MW415.60 g/mol
LogP-0.67
Rot. Bonds6

About potassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate

potassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate (PubChem CID 42615921) has the molecular formula C19H26KN3O3S and a molecular weight of 415.60 g/mol. Its IUPAC name is potassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate.

Molecular Properties

Compound Namepotassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate
PubChem CID42615921
Molecular FormulaC19H26KN3O3S
Molecular Weight415.60 g/mol
Exact Mass415.13
IUPAC Namepotassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate
SMILESCC(C)n1c([O-])c(C(=O)NCCCN2CCCCC2)c(=O)c2ccsc21.[K+]
InChIInChI=1S/C19H27N3O3S.K/c1-13(2)22-18(25)15(16(23)14-7-12-26-19(14)22)17(24)20-8-6-11-21-9-4-3-5-10-21;/h7,12-13,25H,3-6,8-11H2,1-2H3,(H,20,24);/q;+1/p-1
InChIKeyFUMWSKZPASYGQR-UHFFFAOYSA-M
XLogP-0.67
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate?
The IUPAC name of potassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate (CID 42615921) is potassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate.
What is the SMILES notation for potassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate?
The canonical SMILES for potassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate is CC(C)n1c([O-])c(C(=O)NCCCN2CCCCC2)c(=O)c2ccsc21.[K+].
What is the InChIKey of potassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate?
The InChIKey is FUMWSKZPASYGQR-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H27N3O3S.K/c1-13(2)22-18(25)15(16(23)14-7-12-26-19(14)22)17(24)20-8-6-11-21-9-4-3-5-10-21;/h7,12-13,25H,3-6,8-11H2,1-2H3,(H,20,24);/q;+1/p-1.
What are the key properties of potassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate?
potassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate has a molecular weight of 415.60 g/mol, XLogP of -0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate is sourced from PubChem (CID 42615921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).