5-[[(4-fluorophenyl)methylamino]methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide

C15H16FN3O4 — CID 88929326

IUPAC5-[[(4-fluorophenyl)methylamino]methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(NO)c1ncc(CNCc2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C15H16FN3O4/c16-11-3-1-9(2-4-11)5-17-6-10-7-18-13(15(22)19-23)14(21)12(10)8-20/h1-4,7,17,20-21,23H,5-6,8H2,(H,19,22)
InChIKeyXUDTZEBBUMAPEK-UHFFFAOYSA-N
MW321.31 g/mol
LogP0.83
Rot. Bonds6

About 5-[[(4-fluorophenyl)methylamino]methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide

5-[[(4-fluorophenyl)methylamino]methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (PubChem CID 88929326) has the molecular formula C15H16FN3O4 and a molecular weight of 321.31 g/mol. Its IUPAC name is 5-[[(4-fluorophenyl)methylamino]methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(4-fluorophenyl)methylamino]methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
PubChem CID88929326
Molecular FormulaC15H16FN3O4
Molecular Weight321.31 g/mol
Exact Mass321.11
IUPAC Name5-[[(4-fluorophenyl)methylamino]methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(NO)c1ncc(CNCc2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C15H16FN3O4/c16-11-3-1-9(2-4-11)5-17-6-10-7-18-13(15(22)19-23)14(21)12(10)8-20/h1-4,7,17,20-21,23H,5-6,8H2,(H,19,22)
InChIKeyXUDTZEBBUMAPEK-UHFFFAOYSA-N
XLogP0.83
TPSA114.71 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 50.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-fluorophenyl)methylamino]methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[[(4-fluorophenyl)methylamino]methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (CID 88929326) is 5-[[(4-fluorophenyl)methylamino]methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[[(4-fluorophenyl)methylamino]methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[[(4-fluorophenyl)methylamino]methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is O=C(NO)c1ncc(CNCc2ccc(F)cc2)c(CO)c1O.
What is the InChIKey of 5-[[(4-fluorophenyl)methylamino]methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The InChIKey is XUDTZEBBUMAPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4/c16-11-3-1-9(2-4-11)5-17-6-10-7-18-13(15(22)19-23)14(21)12(10)8-20/h1-4,7,17,20-21,23H,5-6,8H2,(H,19,22).
What are the key properties of 5-[[(4-fluorophenyl)methylamino]methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
5-[[(4-fluorophenyl)methylamino]methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide has a molecular weight of 321.31 g/mol, XLogP of 0.83, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-fluorophenyl)methylamino]methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 88929326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).