5-[[2-(3,4-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide

C15H13F2N3O5 — CID 127040891

IUPAC5-[[2-(3,4-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1cnc(C(=O)NO)c(O)c1CO
InChIInChI=1S/C15H13F2N3O5/c16-9-2-1-7(3-10(9)17)4-12(22)19-11-5-18-13(15(24)20-25)14(23)8(11)6-21/h1-3,5,21,23,25H,4,6H2,(H,19,22)(H,20,24)
InChIKeyOWVINSSITFGSJE-UHFFFAOYSA-N
MW353.28 g/mol
LogP0.86
Rot. Bonds5

About 5-[[2-(3,4-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide

5-[[2-(3,4-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (PubChem CID 127040891) has the molecular formula C15H13F2N3O5 and a molecular weight of 353.28 g/mol. Its IUPAC name is 5-[[2-(3,4-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(3,4-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
PubChem CID127040891
Molecular FormulaC15H13F2N3O5
Molecular Weight353.28 g/mol
Exact Mass353.08
IUPAC Name5-[[2-(3,4-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1cnc(C(=O)NO)c(O)c1CO
InChIInChI=1S/C15H13F2N3O5/c16-9-2-1-7(3-10(9)17)4-12(22)19-11-5-18-13(15(24)20-25)14(23)8(11)6-21/h1-3,5,21,23,25H,4,6H2,(H,19,22)(H,20,24)
InChIKeyOWVINSSITFGSJE-UHFFFAOYSA-N
XLogP0.86
TPSA131.78 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 50.86
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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Related Compounds

[(1-Benzyl-5-hydroxy-3-methyl-2-oxo-1,2-dihydro-[1,7]naphthyridine-6-carbonyl)-amino]-acetic acid
CID 60152763
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-Fluorophenyl)methoxymethyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carbohydroxamic acid
CID 44539904
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
N-[(4-fluorophenyl)methyl]-3-hydroxy-pyridine-2-carboxamide
CID 5274890
[(1-Benzyl-5-hydroxy-2-oxo-1,2,3,4-tetrahydro-[1,7]naphthyridine-6-carbonyl)-amino]acetic acid
CID 60152762
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
N-(4-fluorophenyl)-5-hydroxy-6-(hydroxycarbamoyl)-4-(hydroxymethyl)pyridine-3-carboxamide
CID 127041521
5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
CID 127041823

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3,4-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[[2-(3,4-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (CID 127040891) is 5-[[2-(3,4-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-(3,4-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-(3,4-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is O=C(Cc1ccc(F)c(F)c1)Nc1cnc(C(=O)NO)c(O)c1CO.
What is the InChIKey of 5-[[2-(3,4-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The InChIKey is OWVINSSITFGSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O5/c16-9-2-1-7(3-10(9)17)4-12(22)19-11-5-18-13(15(24)20-25)14(23)8(11)6-21/h1-3,5,21,23,25H,4,6H2,(H,19,22)(H,20,24).
What are the key properties of 5-[[2-(3,4-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
5-[[2-(3,4-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide has a molecular weight of 353.28 g/mol, XLogP of 0.86, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3,4-difluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 127040891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).