3-amino-6-[4-[[2-hydroxy-2-(3-pyridin-2-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide

C29H34N6O2S — CID 23586250

About 3-amino-6-[4-[[2-hydroxy-2-(3-pyridin-2-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-[4-[[2-hydroxy-2-(3-pyridin-2-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23586250) has the molecular formula C29H34N6O2S and a molecular weight of 530.70 g/mol. Its IUPAC name is 3-amino-6-[4-[[2-hydroxy-2-(3-pyridin-2-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-[4-[[2-hydroxy-2-(3-pyridin-2-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 23586250
• Molecular Formula: C29H34N6O2S
• Molecular Weight: 530.70 g/mol
• Exact Mass: 530.25
• IUPAC Name: 3-amino-6-[4-[[2-hydroxy-2-(3-pyridin-2-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CCCc1cc(N2CCC(NCC(O)c3cccc(-c4ccccn4)c3)CC2)nc2sc(C(N)=O)c(N)c12
• InChI: InChI=1S/C29H34N6O2S/c1-2-6-20-16-24(34-29-25(20)26(30)27(38-29)28(31)37)35-13-10-21(11-14-35)33-17-23(36)19-8-5-7-18(15-19)22-9-3-4-12-32-22/h3-5,7-9,12,15-16,21,23,33,36H,2,6,10-11,13-14,17,30H2,1H3,(H2,31,37)
• InChIKey: UZWJSHFMSKCXKM-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 130.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.70
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[[2-hydroxy-2-(3-pyridin-2-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-6-[4-[[2-hydroxy-2-(3-pyridin-2-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide (CID 23586250) is 3-amino-6-[4-[[2-hydroxy-2-(3-pyridin-2-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-6-[4-[[2-hydroxy-2-(3-pyridin-2-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-6-[4-[[2-hydroxy-2-(3-pyridin-2-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide is CCCc1cc(N2CCC(NCC(O)c3cccc(-c4ccccn4)c3)CC2)nc2sc(C(N)=O)c(N)c12.

What is the InChIKey of 3-amino-6-[4-[[2-hydroxy-2-(3-pyridin-2-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is UZWJSHFMSKCXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O2S/c1-2-6-20-16-24(34-29-25(20)26(30)27(38-29)28(31)37)35-13-10-21(11-14-35)33-17-23(36)19-8-5-7-18(15-19)22-9-3-4-12-32-22/h3-5,7-9,12,15-16,21,23,33,36H,2,6,10-11,13-14,17,30H2,1H3,(H2,31,37).

What are the key properties of 3-amino-6-[4-[[2-hydroxy-2-(3-pyridin-2-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-6-[4-[[2-hydroxy-2-(3-pyridin-2-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 530.70 g/mol, XLogP of 4.28, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[4-[[2-hydroxy-2-(3-pyridin-2-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23586250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).