5-[3-(4-fluorophenyl)propyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide

C16H17FN2O4 — CID 127042139

IUPAC5-[3-(4-fluorophenyl)propyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(NO)c1ncc(CCCc2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C16H17FN2O4/c17-12-6-4-10(5-7-12)2-1-3-11-8-18-14(16(22)19-23)15(21)13(11)9-20/h4-8,20-21,23H,1-3,9H2,(H,19,22)
InChIKeyPTKUCEWSSNXWLK-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.71
Rot. Bonds6

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

5-[3-(4-fluorophenyl)propyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (PubChem CID 127042139) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)propyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)propyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
PubChem CID127042139
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name5-[3-(4-fluorophenyl)propyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(NO)c1ncc(CCCc2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C16H17FN2O4/c17-12-6-4-10(5-7-12)2-1-3-11-8-18-14(16(22)19-23)15(21)13(11)9-20/h4-8,20-21,23H,1-3,9H2,(H,19,22)
InChIKeyPTKUCEWSSNXWLK-UHFFFAOYSA-N
XLogP1.71
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[3-(4-fluorophenyl)propyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[3-(4-fluorophenyl)propyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (CID 127042139) is 5-[3-(4-fluorophenyl)propyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(4-fluorophenyl)propyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[3-(4-fluorophenyl)propyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is O=C(NO)c1ncc(CCCc2ccc(F)cc2)c(CO)c1O.
What is the InChIKey of 5-[3-(4-fluorophenyl)propyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The InChIKey is PTKUCEWSSNXWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c17-12-6-4-10(5-7-12)2-1-3-11-8-18-14(16(22)19-23)15(21)13(11)9-20/h4-8,20-21,23H,1-3,9H2,(H,19,22).
What are the key properties of 5-[3-(4-fluorophenyl)propyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
5-[3-(4-fluorophenyl)propyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 1.71, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)propyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 127042139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).