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

C22H24N4O2S — CID 124996320

IUPAC3-amino-6-[(3R)-1-benzoyl-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc([C@]3(C)CCCN(C(=O)c4ccccc4)C3)ccc2c1N
InChIInChI=1S/C22H24N4O2S/c1-22(11-6-12-26(13-22)21(28)14-7-4-3-5-8-14)16-10-9-15-17(23)18(19(27)24-2)29-20(15)25-16/h3-5,7-10H,6,11-13,23H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyQSCNPNODXIUXAR-JOCHJYFZSA-N
MW408.53 g/mol
LogP3.43
Rot. Bonds3

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

3-amino-6-[(3R)-1-benzoyl-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 124996320) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 3-amino-6-[(3R)-1-benzoyl-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[(3R)-1-benzoyl-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID124996320
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name3-amino-6-[(3R)-1-benzoyl-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc([C@]3(C)CCCN(C(=O)c4ccccc4)C3)ccc2c1N
InChIInChI=1S/C22H24N4O2S/c1-22(11-6-12-26(13-22)21(28)14-7-4-3-5-8-14)16-10-9-15-17(23)18(19(27)24-2)29-20(15)25-16/h3-5,7-10H,6,11-13,23H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyQSCNPNODXIUXAR-JOCHJYFZSA-N
XLogP3.43
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-[(3R)-1-acetyl-3-methylpiperidin-3-yl]-3-amino-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 125012013
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
3-amino-6-[(3S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 124942471
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-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 175655045
3-amino-N,N-dimethyl-6-[(3R)-3-methyl-1-propanoylpiperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 125018606
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97150010
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72844234
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-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone
CID 110272344
[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone
CID 120864606

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(3R)-1-benzoyl-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[(3R)-1-benzoyl-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (CID 124996320) is 3-amino-6-[(3R)-1-benzoyl-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[(3R)-1-benzoyl-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[(3R)-1-benzoyl-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2nc([C@]3(C)CCCN(C(=O)c4ccccc4)C3)ccc2c1N.
What is the InChIKey of 3-amino-6-[(3R)-1-benzoyl-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QSCNPNODXIUXAR-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-22(11-6-12-26(13-22)21(28)14-7-4-3-5-8-14)16-10-9-15-17(23)18(19(27)24-2)29-20(15)25-16/h3-5,7-10H,6,11-13,23H2,1-2H3,(H,24,27)/t22-/m1/s1.
What are the key properties of 3-amino-6-[(3R)-1-benzoyl-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-[(3R)-1-benzoyl-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(3R)-1-benzoyl-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 124996320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).