N-[6-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclobutyl]methyl]pyridazin-3-yl]-2-pyridin-2-ylacetamide

C20H23N7OS — CID 118484212

About N-[6-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclobutyl]methyl]pyridazin-3-yl]-2-pyridin-2-ylacetamide

N-[6-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclobutyl]methyl]pyridazin-3-yl]-2-pyridin-2-ylacetamide (PubChem CID 118484212) has the molecular formula C20H23N7OS and a molecular weight of 409.52 g/mol. Its IUPAC name is N-[6-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclobutyl]methyl]pyridazin-3-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

• Compound Name: N-[6-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclobutyl]methyl]pyridazin-3-yl]-2-pyridin-2-ylacetamide
• PubChem CID: 118484212
• Molecular Formula: C20H23N7OS
• Molecular Weight: 409.52 g/mol
• Exact Mass: 409.17
• IUPAC Name: N-[6-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclobutyl]methyl]pyridazin-3-yl]-2-pyridin-2-ylacetamide
• SMILES: CCNc1nnc(C2CC(Cc3ccc(NC(=O)Cc4ccccn4)nn3)C2)s1
• InChI: InChI=1S/C20H23N7OS/c1-2-21-20-27-26-19(29-20)14-9-13(10-14)11-16-6-7-17(25-24-16)23-18(28)12-15-5-3-4-8-22-15/h3-8,13-14H,2,9-12H2,1H3,(H,21,27)(H,23,25,28)
• InChIKey: XVPKABCGDDWVMO-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 105.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.52
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclobutyl]methyl]pyridazin-3-yl]-2-pyridin-2-ylacetamide?

The IUPAC name of N-[6-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclobutyl]methyl]pyridazin-3-yl]-2-pyridin-2-ylacetamide (CID 118484212) is N-[6-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclobutyl]methyl]pyridazin-3-yl]-2-pyridin-2-ylacetamide.

What is the SMILES notation for N-[6-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclobutyl]methyl]pyridazin-3-yl]-2-pyridin-2-ylacetamide?

The canonical SMILES for N-[6-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclobutyl]methyl]pyridazin-3-yl]-2-pyridin-2-ylacetamide is CCNc1nnc(C2CC(Cc3ccc(NC(=O)Cc4ccccn4)nn3)C2)s1.

What is the InChIKey of N-[6-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclobutyl]methyl]pyridazin-3-yl]-2-pyridin-2-ylacetamide?

The InChIKey is XVPKABCGDDWVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7OS/c1-2-21-20-27-26-19(29-20)14-9-13(10-14)11-16-6-7-17(25-24-16)23-18(28)12-15-5-3-4-8-22-15/h3-8,13-14H,2,9-12H2,1H3,(H,21,27)(H,23,25,28).

What are the key properties of N-[6-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclobutyl]methyl]pyridazin-3-yl]-2-pyridin-2-ylacetamide?

N-[6-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclobutyl]methyl]pyridazin-3-yl]-2-pyridin-2-ylacetamide has a molecular weight of 409.52 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclobutyl]methyl]pyridazin-3-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 118484212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).