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

C23H20N6O2 — CID 167789601

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

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)propanamide (PubChem CID 167789601) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)propanamide.

Molecular Properties

• Compound Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)propanamide
• PubChem CID: 167789601
• Molecular Formula: C23H20N6O2
• Molecular Weight: 412.45 g/mol
• Exact Mass: 412.16
• IUPAC Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)propanamide
• SMILES: Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1
• InChI: InChI=1S/C23H20N6O2/c1-13-16(14(2)26-23(31)17(13)12-24)7-9-21(30)27-15-6-8-18-20(11-15)29-22(28-18)19-5-3-4-10-25-19/h3-6,8,10-11H,7,9H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)
• InChIKey: YSXDTHYCUHXGPZ-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 127.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.45
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	3
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-pyridin-2-yl-3H-benzimidazol-5-yl)propanamide?

The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)propanamide (CID 167789601) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)propanamide.

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

The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1.

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

The InChIKey is YSXDTHYCUHXGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-13-16(14(2)26-23(31)17(13)12-24)7-9-21(30)27-15-6-8-18-20(11-15)29-22(28-18)19-5-3-4-10-25-19/h3-6,8,10-11H,7,9H2,1-2H3,(H,26,31)(H,27,30)(H,28,29).

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

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)propanamide has a molecular weight of 412.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 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-pyridin-2-yl-3H-benzimidazol-5-yl)propanamide is sourced from PubChem (CID 167789601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).