[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone

C16H21N3O2S — CID 707716

IUPAC[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone
SMILESCOCc1cc(C)nc2sc(C(=O)N3CCCCC3)c(N)c12
InChIInChI=1S/C16H21N3O2S/c1-10-8-11(9-21-2)12-13(17)14(22-15(12)18-10)16(20)19-6-4-3-5-7-19/h8H,3-7,9,17H2,1-2H3
InChIKeyFVNNYBWGXRDHNG-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.96
Rot. Bonds3

About [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone

[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone (PubChem CID 707716) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone
PubChem CID707716
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone
SMILESCOCc1cc(C)nc2sc(C(=O)N3CCCCC3)c(N)c12
InChIInChI=1S/C16H21N3O2S/c1-10-8-11(9-21-2)12-13(17)14(22-15(12)18-10)16(20)19-6-4-3-5-7-19/h8H,3-7,9,17H2,1-2H3
InChIKeyFVNNYBWGXRDHNG-UHFFFAOYSA-N
XLogP2.96
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone (CID 707716) is [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone is COCc1cc(C)nc2sc(C(=O)N3CCCCC3)c(N)c12.
What is the InChIKey of [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is FVNNYBWGXRDHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10-8-11(9-21-2)12-13(17)14(22-15(12)18-10)16(20)19-6-4-3-5-7-19/h8H,3-7,9,17H2,1-2H3.
What are the key properties of [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone?
[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 319.43 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 707716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).