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

C23H24N6O2 — CID 55483862

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

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide (PubChem CID 55483862) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
• PubChem CID: 55483862
• Molecular Formula: C23H24N6O2
• Molecular Weight: 416.49 g/mol
• Exact Mass: 416.20
• IUPAC Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
• SMILES: Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2ccccc2nc1N1CCCC1
• InChI: InChI=1S/C23H24N6O2/c1-14-16(15(2)25-23(31)17(14)13-24)9-10-20(30)28-21-22(29-11-5-6-12-29)27-19-8-4-3-7-18(19)26-21/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,25,31)(H,26,28,30)
• InChIKey: QCZUOKWPOQACHH-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 114.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.49
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide (CID 55483862) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide.

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

The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2ccccc2nc1N1CCCC1.

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

The InChIKey is QCZUOKWPOQACHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14-16(15(2)25-23(31)17(14)13-24)9-10-20(30)28-21-22(29-11-5-6-12-29)27-19-8-4-3-7-18(19)26-21/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,25,31)(H,26,28,30).

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

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide has a molecular weight of 416.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide is sourced from PubChem (CID 55483862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).