5-N-[2-(4-fluorophenyl)ethyl]-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide

C16H16FN3O5 — CID 44540107

IUPAC5-N-[2-(4-fluorophenyl)ethyl]-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cnc(C(=O)NO)c(O)c1CO
InChIInChI=1S/C16H16FN3O5/c17-10-3-1-9(2-4-10)5-6-18-15(23)11-7-19-13(16(24)20-25)14(22)12(11)8-21/h1-4,7,21-22,25H,5-6,8H2,(H,18,23)(H,20,24)
InChIKeyNCVZSFPZPWILMD-UHFFFAOYSA-N
MW349.32 g/mol
LogP0.51
Rot. Bonds6

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

5-N-[2-(4-fluorophenyl)ethyl]-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide (PubChem CID 44540107) has the molecular formula C16H16FN3O5 and a molecular weight of 349.32 g/mol. Its IUPAC name is 5-N-[2-(4-fluorophenyl)ethyl]-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-(4-fluorophenyl)ethyl]-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide
PubChem CID44540107
Molecular FormulaC16H16FN3O5
Molecular Weight349.32 g/mol
Exact Mass349.11
IUPAC Name5-N-[2-(4-fluorophenyl)ethyl]-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cnc(C(=O)NO)c(O)c1CO
InChIInChI=1S/C16H16FN3O5/c17-10-3-1-9(2-4-10)5-6-18-15(23)11-7-19-13(16(24)20-25)14(22)12(11)8-21/h1-4,7,21-22,25H,5-6,8H2,(H,18,23)(H,20,24)
InChIKeyNCVZSFPZPWILMD-UHFFFAOYSA-N
XLogP0.51
TPSA131.78 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 50.51
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-N-[2-(4-fluorophenyl)ethyl]-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[2-(4-fluorophenyl)ethyl]-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide (CID 44540107) is 5-N-[2-(4-fluorophenyl)ethyl]-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-(4-fluorophenyl)ethyl]-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[2-(4-fluorophenyl)ethyl]-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide is O=C(NCCc1ccc(F)cc1)c1cnc(C(=O)NO)c(O)c1CO.
What is the InChIKey of 5-N-[2-(4-fluorophenyl)ethyl]-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide?
The InChIKey is NCVZSFPZPWILMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O5/c17-10-3-1-9(2-4-10)5-6-18-15(23)11-7-19-13(16(24)20-25)14(22)12(11)8-21/h1-4,7,21-22,25H,5-6,8H2,(H,18,23)(H,20,24).
What are the key properties of 5-N-[2-(4-fluorophenyl)ethyl]-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide?
5-N-[2-(4-fluorophenyl)ethyl]-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide has a molecular weight of 349.32 g/mol, XLogP of 0.51, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(4-fluorophenyl)ethyl]-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 44540107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).