3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

C21H28N4O2S — CID 125013566

IUPAC3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc([C@@H]3CCCCN3C(=O)CC3CCCC3)ccc2c1N
InChIInChI=1S/C21H28N4O2S/c1-23-20(27)19-18(22)14-9-10-15(24-21(14)28-19)16-8-4-5-11-25(16)17(26)12-13-6-2-3-7-13/h9-10,13,16H,2-8,11-12,22H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyWGEBEIQIEXFJLS-INIZCTEOSA-N
MW400.55 g/mol
LogP3.87
Rot. Bonds4

About 3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 125013566) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID125013566
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc([C@@H]3CCCCN3C(=O)CC3CCCC3)ccc2c1N
InChIInChI=1S/C21H28N4O2S/c1-23-20(27)19-18(22)14-9-10-15(24-21(14)28-19)16-8-4-5-11-25(16)17(26)12-13-6-2-3-7-13/h9-10,13,16H,2-8,11-12,22H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyWGEBEIQIEXFJLS-INIZCTEOSA-N
XLogP3.87
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (CID 125013566) is 3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2nc([C@@H]3CCCCN3C(=O)CC3CCCC3)ccc2c1N.
What is the InChIKey of 3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WGEBEIQIEXFJLS-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-23-20(27)19-18(22)14-9-10-15(24-21(14)28-19)16-8-4-5-11-25(16)17(26)12-13-6-2-3-7-13/h9-10,13,16H,2-8,11-12,22H2,1H3,(H,23,27)/t16-/m0/s1.
What are the key properties of 3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 400.55 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 125013566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).