N-[1-[5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide

C12H16N6O6 — CID 22593593

About N-[1-[5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide

N-[1-[5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide (PubChem CID 22593593) has the molecular formula C12H16N6O6 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-[1-[5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-[1-[5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide
• PubChem CID: 22593593
• Molecular Formula: C12H16N6O6
• Molecular Weight: 340.30 g/mol
• Exact Mass: 340.11
• IUPAC Name: N-[1-[5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide
• SMILES: CCC(=O)Nc1ccn(C2OC(CO)(N=[N+]=[N-])C(O)C2O)c(=O)n1
• InChI: InChI=1S/C12H16N6O6/c1-2-7(20)14-6-3-4-18(11(23)15-6)10-8(21)9(22)12(5-19,24-10)16-17-13/h3-4,8-10,19,21-22H,2,5H2,1H3,(H,14,15,20,23)
• InChIKey: GMABCKAFUBHVNG-UHFFFAOYSA-N
• XLogP: -1.16
• TPSA: 182.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.30
LogP ≤ 5	-1.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide?

The IUPAC name of N-[1-[5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide (CID 22593593) is N-[1-[5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide.

What is the SMILES notation for N-[1-[5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide?

The canonical SMILES for N-[1-[5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide is CCC(=O)Nc1ccn(C2OC(CO)(N=[N+]=[N-])C(O)C2O)c(=O)n1.

What is the InChIKey of N-[1-[5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide?

The InChIKey is GMABCKAFUBHVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O6/c1-2-7(20)14-6-3-4-18(11(23)15-6)10-8(21)9(22)12(5-19,24-10)16-17-13/h3-4,8-10,19,21-22H,2,5H2,1H3,(H,14,15,20,23).

What are the key properties of N-[1-[5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide?

N-[1-[5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide has a molecular weight of 340.30 g/mol, XLogP of -1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide is sourced from PubChem (CID 22593593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).