5-N-cyclopropyl-3-N-methyl-1-[[3-(2-morpholin-4-ylethyl)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide

C24H30N4O4 — CID 139538108

About 5-N-cyclopropyl-3-N-methyl-1-[[3-(2-morpholin-4-ylethyl)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide

5-N-cyclopropyl-3-N-methyl-1-[[3-(2-morpholin-4-ylethyl)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide (PubChem CID 139538108) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 5-N-cyclopropyl-3-N-methyl-1-[[3-(2-morpholin-4-ylethyl)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-cyclopropyl-3-N-methyl-1-[[3-(2-morpholin-4-ylethyl)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide
• PubChem CID: 139538108
• Molecular Formula: C24H30N4O4
• Molecular Weight: 438.53 g/mol
• Exact Mass: 438.23
• IUPAC Name: 5-N-cyclopropyl-3-N-methyl-1-[[3-(2-morpholin-4-ylethyl)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide
• SMILES: CNC(=O)c1cc(C(=O)NC2CC2)cn(Cc2cccc(CCN3CCOCC3)c2)c1=O
• InChI: InChI=1S/C24H30N4O4/c1-25-23(30)21-14-19(22(29)26-20-5-6-20)16-28(24(21)31)15-18-4-2-3-17(13-18)7-8-27-9-11-32-12-10-27/h2-4,13-14,16,20H,5-12,15H2,1H3,(H,25,30)(H,26,29)
• InChIKey: PQXVXGDWQJFFLJ-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.53
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-3-N-methyl-1-[[3-(2-morpholin-4-ylethyl)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide?

The IUPAC name of 5-N-cyclopropyl-3-N-methyl-1-[[3-(2-morpholin-4-ylethyl)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide (CID 139538108) is 5-N-cyclopropyl-3-N-methyl-1-[[3-(2-morpholin-4-ylethyl)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide.

What is the SMILES notation for 5-N-cyclopropyl-3-N-methyl-1-[[3-(2-morpholin-4-ylethyl)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide?

The canonical SMILES for 5-N-cyclopropyl-3-N-methyl-1-[[3-(2-morpholin-4-ylethyl)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2)cn(Cc2cccc(CCN3CCOCC3)c2)c1=O.

What is the InChIKey of 5-N-cyclopropyl-3-N-methyl-1-[[3-(2-morpholin-4-ylethyl)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide?

The InChIKey is PQXVXGDWQJFFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-25-23(30)21-14-19(22(29)26-20-5-6-20)16-28(24(21)31)15-18-4-2-3-17(13-18)7-8-27-9-11-32-12-10-27/h2-4,13-14,16,20H,5-12,15H2,1H3,(H,25,30)(H,26,29).

What are the key properties of 5-N-cyclopropyl-3-N-methyl-1-[[3-(2-morpholin-4-ylethyl)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide?

5-N-cyclopropyl-3-N-methyl-1-[[3-(2-morpholin-4-ylethyl)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 438.53 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-cyclopropyl-3-N-methyl-1-[[3-(2-morpholin-4-ylethyl)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 139538108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).