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

C22H29N5O2S2 — CID 90768975

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

3-amino-6-[4-[ethyl-(2-hydroxythiophen-3-yl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 90768975) has the molecular formula C22H29N5O2S2 and a molecular weight of 459.64 g/mol. Its IUPAC name is 3-amino-6-[4-[ethyl-(2-hydroxythiophen-3-yl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-[4-[ethyl-(2-hydroxythiophen-3-yl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 90768975
• Molecular Formula: C22H29N5O2S2
• Molecular Weight: 459.64 g/mol
• Exact Mass: 459.18
• IUPAC Name: 3-amino-6-[4-[ethyl-(2-hydroxythiophen-3-yl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CCCc1cc(N2CCC(N(CC)c3ccsc3O)CC2)nc2sc(C(N)=O)c(N)c12
• InChI: InChI=1S/C22H29N5O2S2/c1-3-5-13-12-16(25-21-17(13)18(23)19(31-21)20(24)28)26-9-6-14(7-10-26)27(4-2)15-8-11-30-22(15)29/h8,11-12,14,29H,3-7,9-10,23H2,1-2H3,(H2,24,28)
• InChIKey: JAUHIYRTYQMIDC-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 108.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.64
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-amino-6-[4-[ethyl-(2-hydroxythiophen-3-yl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide (CID 90768975) is 3-amino-6-[4-[ethyl-(2-hydroxythiophen-3-yl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-6-[4-[ethyl-(2-hydroxythiophen-3-yl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide is CCCc1cc(N2CCC(N(CC)c3ccsc3O)CC2)nc2sc(C(N)=O)c(N)c12.

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

The InChIKey is JAUHIYRTYQMIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S2/c1-3-5-13-12-16(25-21-17(13)18(23)19(31-21)20(24)28)26-9-6-14(7-10-26)27(4-2)15-8-11-30-22(15)29/h8,11-12,14,29H,3-7,9-10,23H2,1-2H3,(H2,24,28).

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

3-amino-6-[4-[ethyl-(2-hydroxythiophen-3-yl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 459.64 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[4-[ethyl-(2-hydroxythiophen-3-yl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 90768975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).