5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide

C14H12FN3O3 — CID 44540008

IUPAC5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(C(=O)NO)nc1
InChIInChI=1S/C14H12FN3O3/c15-11-4-1-9(2-5-11)7-17-13(19)10-3-6-12(16-8-10)14(20)18-21/h1-6,8,21H,7H2,(H,17,19)(H,18,20)
InChIKeyAGGKAUIDKBSVAX-UHFFFAOYSA-N
MW289.27 g/mol
LogP1.27
Rot. Bonds4

About 5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide

5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide (PubChem CID 44540008) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide
PubChem CID44540008
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(C(=O)NO)nc1
InChIInChI=1S/C14H12FN3O3/c15-11-4-1-9(2-5-11)7-17-13(19)10-3-6-12(16-8-10)14(20)18-21/h1-6,8,21H,7H2,(H,17,19)(H,18,20)
InChIKeyAGGKAUIDKBSVAX-UHFFFAOYSA-N
XLogP1.27
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 104638128
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435772
N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
CID 107233891
6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156713
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109249735
5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62167616
N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4801056
5-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189604

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide (CID 44540008) is 5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide is O=C(NCc1ccc(F)cc1)c1ccc(C(=O)NO)nc1.
What is the InChIKey of 5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide?
The InChIKey is AGGKAUIDKBSVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-11-4-1-9(2-5-11)7-17-13(19)10-3-6-12(16-8-10)14(20)18-21/h1-6,8,21H,7H2,(H,17,19)(H,18,20).
What are the key properties of 5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide?
5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide has a molecular weight of 289.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide is sourced from PubChem (CID 44540008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).