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

C14H14FN3O4 — CID 44539696

IUPAC5-[(4-fluoroanilino)methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(NO)c1ncc(CNc2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C14H14FN3O4/c15-9-1-3-10(4-2-9)16-5-8-6-17-12(14(21)18-22)13(20)11(8)7-19/h1-4,6,16,19-20,22H,5,7H2,(H,18,21)
InChIKeyHGTZGAMRDSGHMI-UHFFFAOYSA-N
MW307.28 g/mol
LogP1.15
Rot. Bonds5

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

5-[(4-fluoroanilino)methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (PubChem CID 44539696) has the molecular formula C14H14FN3O4 and a molecular weight of 307.28 g/mol. Its IUPAC name is 5-[(4-fluoroanilino)methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluoroanilino)methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
PubChem CID44539696
Molecular FormulaC14H14FN3O4
Molecular Weight307.28 g/mol
Exact Mass307.10
IUPAC Name5-[(4-fluoroanilino)methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(NO)c1ncc(CNc2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C14H14FN3O4/c15-9-1-3-10(4-2-9)16-5-8-6-17-12(14(21)18-22)13(20)11(8)7-19/h1-4,6,16,19-20,22H,5,7H2,(H,18,21)
InChIKeyHGTZGAMRDSGHMI-UHFFFAOYSA-N
XLogP1.15
TPSA114.71 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 51.15
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-fluoroanilino)methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(4-fluoroanilino)methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (CID 44539696) is 5-[(4-fluoroanilino)methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluoroanilino)methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(4-fluoroanilino)methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is O=C(NO)c1ncc(CNc2ccc(F)cc2)c(CO)c1O.
What is the InChIKey of 5-[(4-fluoroanilino)methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The InChIKey is HGTZGAMRDSGHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O4/c15-9-1-3-10(4-2-9)16-5-8-6-17-12(14(21)18-22)13(20)11(8)7-19/h1-4,6,16,19-20,22H,5,7H2,(H,18,21).
What are the key properties of 5-[(4-fluoroanilino)methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
5-[(4-fluoroanilino)methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide has a molecular weight of 307.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoroanilino)methyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 44539696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).