2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H13N5O2S — CID 660561

About 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 660561) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 660561
• Molecular Formula: C17H13N5O2S
• Molecular Weight: 351.39 g/mol
• Exact Mass: 351.08
• IUPAC Name: 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: Cc1cc(NC(=O)CSc2nc(-c3cccnc3)ccc2C#N)no1
• InChI: InChI=1S/C17H13N5O2S/c1-11-7-15(22-24-11)21-16(23)10-25-17-12(8-18)4-5-14(20-17)13-3-2-6-19-9-13/h2-7,9H,10H2,1H3,(H,21,22,23)
• InChIKey: LKTQVOUZZGGVKY-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 104.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.39
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 660561) is 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nc(-c3cccnc3)ccc2C#N)no1.

What is the InChIKey of 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is LKTQVOUZZGGVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c1-11-7-15(22-24-11)21-16(23)10-25-17-12(8-18)4-5-14(20-17)13-3-2-6-19-9-13/h2-7,9H,10H2,1H3,(H,21,22,23).

What are the key properties of 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 351.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 660561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).