3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C16H18N4O2S — CID 41434759

About 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 41434759) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

• Compound Name: 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
• PubChem CID: 41434759
• Molecular Formula: C16H18N4O2S
• Molecular Weight: 330.41 g/mol
• Exact Mass: 330.12
• IUPAC Name: 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
• SMILES: Cc1cc(NC(=O)CCSc2nc(C)c(C)c(C)c2C#N)no1
• InChI: InChI=1S/C16H18N4O2S/c1-9-7-14(20-22-9)19-15(21)5-6-23-16-13(8-17)11(3)10(2)12(4)18-16/h7H,5-6H2,1-4H3,(H,19,20,21)
• InChIKey: BMMBITXVQRPXFA-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 91.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.41
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The IUPAC name of 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 41434759) is 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

What is the SMILES notation for 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The canonical SMILES for 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCSc2nc(C)c(C)c(C)c2C#N)no1.

What is the InChIKey of 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The InChIKey is BMMBITXVQRPXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-9-7-14(20-22-9)19-15(21)5-6-23-16-13(8-17)11(3)10(2)12(4)18-16/h7H,5-6H2,1-4H3,(H,19,20,21).

What are the key properties of 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 330.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 41434759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).