3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide

C21H20N4O2S — CID 167907220

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 167907220) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

• Compound Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide
• PubChem CID: 167907220
• Molecular Formula: C21H20N4O2S
• Molecular Weight: 392.48 g/mol
• Exact Mass: 392.13
• IUPAC Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide
• SMILES: Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc(C3CC3)sc2c1
• InChI: InChI=1S/C21H20N4O2S/c1-11-15(12(2)23-20(27)16(11)10-22)6-8-19(26)24-14-5-7-17-18(9-14)28-21(25-17)13-3-4-13/h5,7,9,13H,3-4,6,8H2,1-2H3,(H,23,27)(H,24,26)
• InChIKey: COYSSTHDBSLOEF-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 98.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.48
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide?

The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide (CID 167907220) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide.

What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide?

The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc(C3CC3)sc2c1.

What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide?

The InChIKey is COYSSTHDBSLOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-11-15(12(2)23-20(27)16(11)10-22)6-8-19(26)24-14-5-7-17-18(9-14)28-21(25-17)13-3-4-13/h5,7,9,13H,3-4,6,8H2,1-2H3,(H,23,27)(H,24,26).

What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide?

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 392.48 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 167907220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).