5-amino-N-(3-aminophenyl)-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide

C15H19N5O5 — CID 89064942

About 5-amino-N-(3-aminophenyl)-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide

5-amino-N-(3-aminophenyl)-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide (PubChem CID 89064942) has the molecular formula C15H19N5O5 and a molecular weight of 349.35 g/mol. Its IUPAC name is 5-amino-N-(3-aminophenyl)-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-(3-aminophenyl)-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
• PubChem CID: 89064942
• Molecular Formula: C15H19N5O5
• Molecular Weight: 349.35 g/mol
• Exact Mass: 349.14
• IUPAC Name: 5-amino-N-(3-aminophenyl)-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
• SMILES: Nc1cccc(NC(=O)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2N)c1
• InChI: InChI=1S/C15H19N5O5/c16-7-2-1-3-8(4-7)19-14(24)10-13(17)20(6-18-10)15-12(23)11(22)9(5-21)25-15/h1-4,6,9,11-12,15,21-23H,5,16-17H2,(H,19,24)/t9-,11?,12?,15-/m1/s1
• InChIKey: DKOFLXZHRWFWOK-HGOJYGERSA-N
• XLogP: -1.09
• TPSA: 168.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	349.35
LogP ≤ 5	-1.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-aminophenyl)-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide?

The IUPAC name of 5-amino-N-(3-aminophenyl)-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide (CID 89064942) is 5-amino-N-(3-aminophenyl)-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide.

What is the SMILES notation for 5-amino-N-(3-aminophenyl)-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide?

The canonical SMILES for 5-amino-N-(3-aminophenyl)-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide is Nc1cccc(NC(=O)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2N)c1.

What is the InChIKey of 5-amino-N-(3-aminophenyl)-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide?

The InChIKey is DKOFLXZHRWFWOK-HGOJYGERSA-N. The full InChI is InChI=1S/C15H19N5O5/c16-7-2-1-3-8(4-7)19-14(24)10-13(17)20(6-18-10)15-12(23)11(22)9(5-21)25-15/h1-4,6,9,11-12,15,21-23H,5,16-17H2,(H,19,24)/t9-,11?,12?,15-/m1/s1.

What are the key properties of 5-amino-N-(3-aminophenyl)-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide?

5-amino-N-(3-aminophenyl)-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide has a molecular weight of 349.35 g/mol, XLogP of -1.09, 4 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-(3-aminophenyl)-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 89064942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).