4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide

C21H24N4O4 — CID 175640604

About 4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide

4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide (PubChem CID 175640604) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide
• PubChem CID: 175640604
• Molecular Formula: C21H24N4O4
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.18
• IUPAC Name: 4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide
• SMILES: Cc1ccn(CCN2CCOCC2)c(=O)c1C(=O)Nc1cccc2c1CNC2=O
• InChI: InChI=1S/C21H24N4O4/c1-14-5-6-25(8-7-24-9-11-29-12-10-24)21(28)18(14)20(27)23-17-4-2-3-15-16(17)13-22-19(15)26/h2-6H,7-13H2,1H3,(H,22,26)(H,23,27)
• InChIKey: YOCXZIWSDVLROS-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide?

The IUPAC name of 4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide (CID 175640604) is 4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide.

What is the SMILES notation for 4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide?

The canonical SMILES for 4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide is Cc1ccn(CCN2CCOCC2)c(=O)c1C(=O)Nc1cccc2c1CNC2=O.

What is the InChIKey of 4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide?

The InChIKey is YOCXZIWSDVLROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-14-5-6-25(8-7-24-9-11-29-12-10-24)21(28)18(14)20(27)23-17-4-2-3-15-16(17)13-22-19(15)26/h2-6H,7-13H2,1H3,(H,22,26)(H,23,27).

What are the key properties of 4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide?

4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175640604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).