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

C16H22N4O3S — CID 10450537

IUPAC3-amino-6-(4-hydroxypiperidin-1-yl)-4-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)Oc1cc(N2CCC(O)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C16H22N4O3S/c1-8(2)23-10-7-11(20-5-3-9(21)4-6-20)19-16-12(10)13(17)14(24-16)15(18)22/h7-9,21H,3-6,17H2,1-2H3,(H2,18,22)
InChIKeyQMWFVGPXNLPRLN-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.73
Rot. Bonds4

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

3-amino-6-(4-hydroxypiperidin-1-yl)-4-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide (PubChem CID 10450537) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-amino-6-(4-hydroxypiperidin-1-yl)-4-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-hydroxypiperidin-1-yl)-4-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
PubChem CID10450537
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name3-amino-6-(4-hydroxypiperidin-1-yl)-4-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)Oc1cc(N2CCC(O)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C16H22N4O3S/c1-8(2)23-10-7-11(20-5-3-9(21)4-6-20)19-16-12(10)13(17)14(24-16)15(18)22/h7-9,21H,3-6,17H2,1-2H3,(H2,18,22)
InChIKeyQMWFVGPXNLPRLN-UHFFFAOYSA-N
XLogP1.73
TPSA114.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-hydroxypiperidin-1-yl)-4-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-hydroxypiperidin-1-yl)-4-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide (CID 10450537) is 3-amino-6-(4-hydroxypiperidin-1-yl)-4-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-hydroxypiperidin-1-yl)-4-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-hydroxypiperidin-1-yl)-4-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide is CC(C)Oc1cc(N2CCC(O)CC2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-6-(4-hydroxypiperidin-1-yl)-4-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QMWFVGPXNLPRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-8(2)23-10-7-11(20-5-3-9(21)4-6-20)19-16-12(10)13(17)14(24-16)15(18)22/h7-9,21H,3-6,17H2,1-2H3,(H2,18,22).
What are the key properties of 3-amino-6-(4-hydroxypiperidin-1-yl)-4-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(4-hydroxypiperidin-1-yl)-4-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-hydroxypiperidin-1-yl)-4-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 10450537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).