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

C15H15FN2O5 — CID 53327290

IUPAC5-[(4-fluorophenyl)-hydroxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)-N-methylpyridine-2-carboxamide
SMILESCN(O)C(=O)c1ncc(C(O)c2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C15H15FN2O5/c1-18(23)15(22)12-14(21)11(7-19)10(6-17-12)13(20)8-2-4-9(16)5-3-8/h2-6,13,19-21,23H,7H2,1H3
InChIKeyOESBHQRQTVAGNC-UHFFFAOYSA-N
MW322.29 g/mol
LogP0.96
Rot. Bonds4

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

5-[(4-fluorophenyl)-hydroxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)-N-methylpyridine-2-carboxamide (PubChem CID 53327290) has the molecular formula C15H15FN2O5 and a molecular weight of 322.29 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)-hydroxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)-hydroxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)-N-methylpyridine-2-carboxamide
PubChem CID53327290
Molecular FormulaC15H15FN2O5
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name5-[(4-fluorophenyl)-hydroxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)-N-methylpyridine-2-carboxamide
SMILESCN(O)C(=O)c1ncc(C(O)c2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C15H15FN2O5/c1-18(23)15(22)12-14(21)11(7-19)10(6-17-12)13(20)8-2-4-9(16)5-3-8/h2-6,13,19-21,23H,7H2,1H3
InChIKeyOESBHQRQTVAGNC-UHFFFAOYSA-N
XLogP0.96
TPSA114.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 50.96
H-Bond Donors ≤ 54
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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Related Compounds

5-[(4-fluorophenyl)-hydroxymethyl]-N-hydroxy-N,2,2-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide
CID 53327252
1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone
CID 58360304
5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
CID 127041224
(2-ethyl-4-fluorophenyl)-(4-fluorophenyl)methanol
CID 146466403
(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658593
2-(dimethylamino)-2-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 72839369
methyl 5-[(4-fluorophenyl)-hydroxymethyl]-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate
CID 67294267
(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one
CID 93049323
(2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide
CID 99929265
(3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11370953
[4-chloro-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol
CID 141261609
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)-hydroxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)-hydroxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)-N-methylpyridine-2-carboxamide (CID 53327290) is 5-[(4-fluorophenyl)-hydroxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)-hydroxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)-hydroxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)-N-methylpyridine-2-carboxamide is CN(O)C(=O)c1ncc(C(O)c2ccc(F)cc2)c(CO)c1O.
What is the InChIKey of 5-[(4-fluorophenyl)-hydroxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is OESBHQRQTVAGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O5/c1-18(23)15(22)12-14(21)11(7-19)10(6-17-12)13(20)8-2-4-9(16)5-3-8/h2-6,13,19-21,23H,7H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)-hydroxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)-N-methylpyridine-2-carboxamide?
5-[(4-fluorophenyl)-hydroxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 322.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)-hydroxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 53327290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).