3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C68H76Cl2F3N11O3S3 — CID 159805609

About 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 159805609) has the molecular formula C68H76Cl2F3N11O3S3 and a molecular weight of 1319.53 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 159805609
• Molecular Formula: C68H76Cl2F3N11O3S3
• Molecular Weight: 1319.53 g/mol
• Exact Mass: 1317.46
• IUPAC Name: 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)sc2nc(C(F)(F)F)ccc12.Cc1cc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(Cl)c3)sc2nc1C.Cc1cnc2sc(C(=O)NCCc3ccc(N4CCCCC4)c(Cl)c3)c(N)c2c1
• InChI: InChI=1S/C23H27ClN4OS.C23H24F3N3OS.C22H25ClN4OS/c1-14-12-17-20(25)21(30-23(17)27-15(14)2)22(29)26-9-8-16-6-7-19(18(24)13-16)28-10-4-3-5-11-28;1-15-18-9-10-19(23(24,25)26)28-22(18)31-20(15)21(30)27-12-11-16-5-7-17(8-6-16)29-13-3-2-4-14-29;1-14-11-16-19(24)20(29-22(16)26-13-14)21(28)25-8-7-15-5-6-18(17(23)12-15)27-9-3-2-4-10-27/h6-7,12-13H,3-5,8-11,25H2,1-2H3,(H,26,29);5-10H,2-4,11-14H2,1H3,(H,27,30);5-6,11-13H,2-4,7-10,24H2,1H3,(H,25,28)
• InChIKey: NKIRUCLHCIWFOO-UHFFFAOYSA-N
• XLogP: 15.50
• TPSA: 187.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1319.53
LogP ≤ 5	15.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 159805609) is 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)sc2nc(C(F)(F)F)ccc12.Cc1cc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(Cl)c3)sc2nc1C.Cc1cnc2sc(C(=O)NCCc3ccc(N4CCCCC4)c(Cl)c3)c(N)c2c1.

What is the InChIKey of 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is NKIRUCLHCIWFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4OS.C23H24F3N3OS.C22H25ClN4OS/c1-14-12-17-20(25)21(30-23(17)27-15(14)2)22(29)26-9-8-16-6-7-19(18(24)13-16)28-10-4-3-5-11-28;1-15-18-9-10-19(23(24,25)26)28-22(18)31-20(15)21(30)27-12-11-16-5-7-17(8-6-16)29-13-3-2-4-14-29;1-14-11-16-19(24)20(29-22(16)26-13-14)21(28)25-8-7-15-5-6-18(17(23)12-15)27-9-3-2-4-10-27/h6-7,12-13H,3-5,8-11,25H2,1-2H3,(H,26,29);5-10H,2-4,11-14H2,1H3,(H,27,30);5-6,11-13H,2-4,7-10,24H2,1H3,(H,25,28).

What are the key properties of 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1319.53 g/mol, XLogP of 15.50, 15 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 159805609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).