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

C22H30N4O2S — CID 124942471

IUPAC3-amino-6-[(3S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc([C@@]3(C)CCCN(C(=O)CC4CCCC4)C3)ccc2c1N
InChIInChI=1S/C22H30N4O2S/c1-22(10-5-11-26(13-22)17(27)12-14-6-3-4-7-14)16-9-8-15-18(23)19(20(28)24-2)29-21(15)25-16/h8-9,14H,3-7,10-13,23H2,1-2H3,(H,24,28)/t22-/m0/s1
InChIKeyAVGYLCQHTQXTKY-QFIPXVFZSA-N
MW414.58 g/mol
LogP3.70
Rot. Bonds4

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

3-amino-6-[(3S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 124942471) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is 3-amino-6-[(3S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[(3S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID124942471
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC Name3-amino-6-[(3S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc([C@@]3(C)CCCN(C(=O)CC4CCCC4)C3)ccc2c1N
InChIInChI=1S/C22H30N4O2S/c1-22(10-5-11-26(13-22)17(27)12-14-6-3-4-7-14)16-9-8-15-18(23)19(20(28)24-2)29-21(15)25-16/h8-9,14H,3-7,10-13,23H2,1-2H3,(H,24,28)/t22-/m0/s1
InChIKeyAVGYLCQHTQXTKY-QFIPXVFZSA-N
XLogP3.70
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-6-[(3S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-6-[1-(2-chloroacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 175656495
3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 125013986
6-[(3R)-1-acetyl-3-methylpiperidin-3-yl]-3-amino-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 125012013
3-amino-6-[(3R)-1-benzoyl-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 124996320
3-amino-N-methyl-6-[(3S)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124944371
3-amino-N,N-dimethyl-6-[(3R)-3-methyl-1-propanoylpiperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 125018606
3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 125013566
3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 175655045
3-amino-N-methyl-6-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124951356
3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110100713
3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 124963286
3-amino-N,N-dimethyl-6-[3-methyl-1-(pyrazin-2-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110100712

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(3S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[(3S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (CID 124942471) is 3-amino-6-[(3S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[(3S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[(3S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2nc([C@@]3(C)CCCN(C(=O)CC4CCCC4)C3)ccc2c1N.
What is the InChIKey of 3-amino-6-[(3S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AVGYLCQHTQXTKY-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-22(10-5-11-26(13-22)17(27)12-14-6-3-4-7-14)16-9-8-15-18(23)19(20(28)24-2)29-21(15)25-16/h8-9,14H,3-7,10-13,23H2,1-2H3,(H,24,28)/t22-/m0/s1.
What are the key properties of 3-amino-6-[(3S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-[(3S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 414.58 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(3S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 124942471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).