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

C14H12FN3O5 — CID 44539699

IUPAC5-[(4-fluorobenzoyl)amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnc(C(=O)NO)c(O)c1CO)c1ccc(F)cc1
InChIInChI=1S/C14H12FN3O5/c15-8-3-1-7(2-4-8)13(21)17-10-5-16-11(14(22)18-23)12(20)9(10)6-19/h1-5,19-20,23H,6H2,(H,17,21)(H,18,22)
InChIKeyGCKFPURLKGQKOY-UHFFFAOYSA-N
MW321.26 g/mol
LogP0.79
Rot. Bonds4

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

5-[(4-fluorobenzoyl)amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (PubChem CID 44539699) has the molecular formula C14H12FN3O5 and a molecular weight of 321.26 g/mol. Its IUPAC name is 5-[(4-fluorobenzoyl)amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorobenzoyl)amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
PubChem CID44539699
Molecular FormulaC14H12FN3O5
Molecular Weight321.26 g/mol
Exact Mass321.08
IUPAC Name5-[(4-fluorobenzoyl)amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnc(C(=O)NO)c(O)c1CO)c1ccc(F)cc1
InChIInChI=1S/C14H12FN3O5/c15-8-3-1-7(2-4-8)13(21)17-10-5-16-11(14(22)18-23)12(20)9(10)6-19/h1-5,19-20,23H,6H2,(H,17,21)(H,18,22)
InChIKeyGCKFPURLKGQKOY-UHFFFAOYSA-N
XLogP0.79
TPSA131.78 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 50.79
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-fluorobenzoyl)amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(4-fluorobenzoyl)amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (CID 44539699) is 5-[(4-fluorobenzoyl)amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorobenzoyl)amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorobenzoyl)amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is O=C(Nc1cnc(C(=O)NO)c(O)c1CO)c1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorobenzoyl)amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The InChIKey is GCKFPURLKGQKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O5/c15-8-3-1-7(2-4-8)13(21)17-10-5-16-11(14(22)18-23)12(20)9(10)6-19/h1-5,19-20,23H,6H2,(H,17,21)(H,18,22).
What are the key properties of 5-[(4-fluorobenzoyl)amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
5-[(4-fluorobenzoyl)amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide has a molecular weight of 321.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorobenzoyl)amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 44539699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).