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

C15H15FN2O5 — CID 44539904

IUPAC5-[(4-fluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(NO)c1ncc(COCc2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C15H15FN2O5/c16-11-3-1-9(2-4-11)7-23-8-10-5-17-13(15(21)18-22)14(20)12(10)6-19/h1-5,19-20,22H,6-8H2,(H,18,21)
InChIKeyAUWUXJLJRXNOOP-UHFFFAOYSA-N
MW322.29 g/mol
LogP1.25
Rot. Bonds6

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

5-[(4-fluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (PubChem CID 44539904) has the molecular formula C15H15FN2O5 and a molecular weight of 322.29 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
PubChem CID44539904
Molecular FormulaC15H15FN2O5
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name5-[(4-fluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(NO)c1ncc(COCc2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C15H15FN2O5/c16-11-3-1-9(2-4-11)7-23-8-10-5-17-13(15(21)18-22)14(20)12(10)6-19/h1-5,19-20,22H,6-8H2,(H,18,21)
InChIKeyAUWUXJLJRXNOOP-UHFFFAOYSA-N
XLogP1.25
TPSA111.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 51.25
H-Bond Donors ≤ 54
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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Related Compounds

5-((4-fluorophenylamino)methyl)-N,3-dihydroxy-4-(hydroxymethyl)picolinamide
CID 44539696
4-fluoro-N-[5-hydroxy-6-(hydroxycarbamoyl)-4-(hydroxymethyl)-3-pyridyl]benzamide
CID 44539699
5-[(4-Fluorophenoxy)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carbohydroxamic acid
CID 44539799
5-[2-(4-Fluorophenyl)ethyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carbohydroxamic acid
CID 44540201
5-[[(4-Fluorophenyl)methylamino]methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carbohydroxamic acid
CID 88929326
5-[(4-Fluorophenyl)sulfanylmethyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carbohydroxamic acid
CID 127038895
N,3-dihydroxy-4-(hydroxymethyl)-5-[(2-phenylacetyl)amino]pyridine-2-carboxamide
CID 127040890
5-[[2-(3,4-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
CID 127040891
N-(4-fluorophenyl)-5-hydroxy-6-(hydroxycarbamoyl)-4-(hydroxymethyl)pyridine-3-carboxamide
CID 127041521
5-[[2-(3,5-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
CID 127042119
5-[3-(4-Fluorophenyl)propyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carbohydroxamic acid
CID 127042139
N-[2-(4-fluorophenyl)ethyl]-5-hydroxy-6-(hydroxycarbamoyl)-4-(hydroxymethyl)pyridine-3-carboxamide
CID 44540107

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (CID 44539904) is 5-[(4-fluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is O=C(NO)c1ncc(COCc2ccc(F)cc2)c(CO)c1O.
What is the InChIKey of 5-[(4-fluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The InChIKey is AUWUXJLJRXNOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O5/c16-11-3-1-9(2-4-11)7-23-8-10-5-17-13(15(21)18-22)14(20)12(10)6-19/h1-5,19-20,22H,6-8H2,(H,18,21).
What are the key properties of 5-[(4-fluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
5-[(4-fluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide has a molecular weight of 322.29 g/mol, XLogP of 1.25, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 44539904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).