2-hydroxy-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C16H18N4O4 — CID 135681062

About 2-hydroxy-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681062) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-hydroxy-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-hydroxy-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide
• PubChem CID: 135681062
• Molecular Formula: C16H18N4O4
• Molecular Weight: 330.34 g/mol
• Exact Mass: 330.13
• IUPAC Name: 2-hydroxy-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide
• SMILES: O=C(NCCCN1CCCC1=O)c1c(O)nc2ccccn2c1=O
• InChI: InChI=1S/C16H18N4O4/c21-12-6-3-8-19(12)9-4-7-17-14(22)13-15(23)18-11-5-1-2-10-20(11)16(13)24/h1-2,5,10,23H,3-4,6-9H2,(H,17,22)
• InChIKey: UVNGABYZAIKSAY-UHFFFAOYSA-N
• XLogP: 0.14
• TPSA: 104.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.34
LogP ≤ 5	0.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-hydroxy-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681062) is 2-hydroxy-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-hydroxy-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-hydroxy-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCCCN1CCCC1=O)c1c(O)nc2ccccn2c1=O.

What is the InChIKey of 2-hydroxy-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide?

The InChIKey is UVNGABYZAIKSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c21-12-6-3-8-19(12)9-4-7-17-14(22)13-15(23)18-11-5-1-2-10-20(11)16(13)24/h1-2,5,10,23H,3-4,6-9H2,(H,17,22).

What are the key properties of 2-hydroxy-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide?

2-hydroxy-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).