N5-(benzo[d][1,3]dioxol-5-ylmethyl)-N2,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide
Basic information
- Standard SMILES
O=C(NCc1ccc2c(c1)OCO2)c1cnc(C(=O)NO)c(O)c1CO- InChIKey
QMCBMFZENXCGDG-UHFFFAOYSA-N- Molecular formula
- C16H15N3O7
- Average molar mass
- 361.31 g/mol
Names & identifiers
- Preferred name
- N5-(benzo[d][1,3]dioxol-5-ylmethyl)-N2,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide
- IUPAC
- 5-N-(1,3-benzodioxol-5-ylmethyl)-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide
Names & synonyms
N5-(benzo[d][1,3]dioxol-5-ylmethyl)-N2,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamideSCHEMBL1503119QMCBMFZENXCGDG-UHFFFAOYSA-NN-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-6-(hydroxycarbamoyl)-4-(hydroxymethyl)pyridine-3-carboxamide
Database identifiers
- PubChem CID
- 44541023
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 520
Related reactions
1 records
Compound notes
Loading…