1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide

C17H24N4O4 — CID 166254690

About 1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide

1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 166254690) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 166254690
• Molecular Formula: C17H24N4O4
• Molecular Weight: 348.40 g/mol
• Exact Mass: 348.18
• IUPAC Name: 1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
• SMILES: O=C(NCc1cc(=O)cc[nH]1)C1CC(=O)N(CCN2CCOCC2)C1
• InChI: InChI=1S/C17H24N4O4/c22-15-1-2-18-14(10-15)11-19-17(24)13-9-16(23)21(12-13)4-3-20-5-7-25-8-6-20/h1-2,10,13H,3-9,11-12H2,(H,18,22)(H,19,24)
• InChIKey: GSMINSMZLGAKNB-UHFFFAOYSA-N
• XLogP: -0.83
• TPSA: 94.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.40
LogP ≤ 5	-0.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide (CID 166254690) is 1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide is O=C(NCc1cc(=O)cc[nH]1)C1CC(=O)N(CCN2CCOCC2)C1.

What is the InChIKey of 1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide?

The InChIKey is GSMINSMZLGAKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c22-15-1-2-18-14(10-15)11-19-17(24)13-9-16(23)21(12-13)4-3-20-5-7-25-8-6-20/h1-2,10,13H,3-9,11-12H2,(H,18,22)(H,19,24).

What are the key properties of 1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide?

1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of -0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 166254690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).