2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide

C23H23N9O3S2 — CID 121256477

About 2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide

2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 121256477) has the molecular formula C23H23N9O3S2 and a molecular weight of 537.63 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 121256477
• Molecular Formula: C23H23N9O3S2
• Molecular Weight: 537.63 g/mol
• Exact Mass: 537.14
• IUPAC Name: 2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: O=C(Cc1cccnc1)Nc1nnc(OC2CCN(c3nnc(NC(=O)Cc4cccnc4)s3)CC2)s1
• InChI: InChI=1S/C23H23N9O3S2/c33-18(11-15-3-1-7-24-13-15)26-20-28-30-22(36-20)32-9-5-17(6-10-32)35-23-31-29-21(37-23)27-19(34)12-16-4-2-8-25-14-16/h1-4,7-8,13-14,17H,5-6,9-12H2,(H,26,28,33)(H,27,29,34)
• InChIKey: BGBBDANHSOXZLR-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 148.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.63
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?

The IUPAC name of 2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide (CID 121256477) is 2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide.

What is the SMILES notation for 2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?

The canonical SMILES for 2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1cccnc1)Nc1nnc(OC2CCN(c3nnc(NC(=O)Cc4cccnc4)s3)CC2)s1.

What is the InChIKey of 2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?

The InChIKey is BGBBDANHSOXZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9O3S2/c33-18(11-15-3-1-7-24-13-15)26-20-28-30-22(36-20)32-9-5-17(6-10-32)35-23-31-29-21(37-23)27-19(34)12-16-4-2-8-25-14-16/h1-4,7-8,13-14,17H,5-6,9-12H2,(H,26,28,33)(H,27,29,34).

What are the key properties of 2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?

2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 537.63 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 121256477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).