2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide

C9H11N5O3 — CID 67342660

IUPAC2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide
SMILESCC(=O)C(=O)NC1N=C2NC=CNC2C(=O)N1
InChIInChI=1S/C9H11N5O3/c1-4(15)7(16)13-9-12-6-5(8(17)14-9)10-2-3-11-6/h2-3,5,9-10H,1H3,(H,11,12)(H,13,16)(H,14,17)
InChIKeyQOKOZKNKLZTVHD-UHFFFAOYSA-N
MW237.22 g/mol
LogP-2.46
Rot. Bonds2

About 2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide

2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide (PubChem CID 67342660) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide.

Molecular Properties

Compound Name2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide
PubChem CID67342660
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide
SMILESCC(=O)C(=O)NC1N=C2NC=CNC2C(=O)N1
InChIInChI=1S/C9H11N5O3/c1-4(15)7(16)13-9-12-6-5(8(17)14-9)10-2-3-11-6/h2-3,5,9-10H,1H3,(H,11,12)(H,13,16)(H,14,17)
InChIKeyQOKOZKNKLZTVHD-UHFFFAOYSA-N
XLogP-2.46
TPSA111.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-2.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide?
The IUPAC name of 2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide (CID 67342660) is 2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide.
What is the SMILES notation for 2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide?
The canonical SMILES for 2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide is CC(=O)C(=O)NC1N=C2NC=CNC2C(=O)N1.
What is the InChIKey of 2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide?
The InChIKey is QOKOZKNKLZTVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-4(15)7(16)13-9-12-6-5(8(17)14-9)10-2-3-11-6/h2-3,5,9-10H,1H3,(H,11,12)(H,13,16)(H,14,17).
What are the key properties of 2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide?
2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide has a molecular weight of 237.22 g/mol, XLogP of -2.46, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide is sourced from PubChem (CID 67342660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).