3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide

C26H28N4O2 — CID 55385230

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 55385230) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
• PubChem CID: 55385230
• Molecular Formula: C26H28N4O2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.22
• IUPAC Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
• SMILES: CCc1ccc(CN(Cc2cccnc2)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1
• InChI: InChI=1S/C26H28N4O2/c1-4-20-7-9-21(10-8-20)16-30(17-22-6-5-13-28-15-22)25(31)12-11-23-18(2)24(14-27)26(32)29-19(23)3/h5-10,13,15H,4,11-12,16-17H2,1-3H3,(H,29,32)
• InChIKey: JPIMDGBZKMFSDG-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 89.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide?

The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide (CID 55385230) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide.

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

The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide is CCc1ccc(CN(Cc2cccnc2)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1.

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

The InChIKey is JPIMDGBZKMFSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-4-20-7-9-21(10-8-20)16-30(17-22-6-5-13-28-15-22)25(31)12-11-23-18(2)24(14-27)26(32)29-19(23)3/h5-10,13,15H,4,11-12,16-17H2,1-3H3,(H,29,32).

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

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 428.54 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 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-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 55385230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).