3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide

C14H18N4O2S — CID 45485737

IUPAC3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(N2CCCC(O)C2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C14H18N4O2S/c1-7-5-9(18-4-2-3-8(19)6-18)17-14-10(7)11(15)12(21-14)13(16)20/h5,8,19H,2-4,6,15H2,1H3,(H2,16,20)
InChIKeyOARXYRYGLSCCJE-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.25
Rot. Bonds2

About 3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 45485737) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID45485737
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(N2CCCC(O)C2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C14H18N4O2S/c1-7-5-9(18-4-2-3-8(19)6-18)17-14-10(7)11(15)12(21-14)13(16)20/h5,8,19H,2-4,6,15H2,1H3,(H2,16,20)
InChIKeyOARXYRYGLSCCJE-UHFFFAOYSA-N
XLogP1.25
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide (CID 45485737) is 3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(N2CCCC(O)C2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is OARXYRYGLSCCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-7-5-9(18-4-2-3-8(19)6-18)17-14-10(7)11(15)12(21-14)13(16)20/h5,8,19H,2-4,6,15H2,1H3,(H2,16,20).
What are the key properties of 3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 45485737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).