N-benzyl-4-(4-fluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide

C18H20FN3O2 — CID 71523630

IUPACN-benzyl-4-(4-fluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide
SMILESO=C(c1cc(N2CCC(F)CC2)ccn1)N(O)Cc1ccccc1
InChIInChI=1S/C18H20FN3O2/c19-15-7-10-21(11-8-15)16-6-9-20-17(12-16)18(23)22(24)13-14-4-2-1-3-5-14/h1-6,9,12,15,24H,7-8,10-11,13H2
InChIKeyKVWVSESEROFKCR-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.05
Rot. Bonds4

About N-benzyl-4-(4-fluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide

N-benzyl-4-(4-fluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide (PubChem CID 71523630) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-benzyl-4-(4-fluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-fluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide
PubChem CID71523630
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-benzyl-4-(4-fluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide
SMILESO=C(c1cc(N2CCC(F)CC2)ccn1)N(O)Cc1ccccc1
InChIInChI=1S/C18H20FN3O2/c19-15-7-10-21(11-8-15)16-6-9-20-17(12-16)18(23)22(24)13-14-4-2-1-3-5-14/h1-6,9,12,15,24H,7-8,10-11,13H2
InChIKeyKVWVSESEROFKCR-UHFFFAOYSA-N
XLogP3.05
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-benzyl-4-(4-fluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-(4-fluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide (CID 71523630) is N-benzyl-4-(4-fluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-fluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-(4-fluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide is O=C(c1cc(N2CCC(F)CC2)ccn1)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-4-(4-fluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide?
The InChIKey is KVWVSESEROFKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-15-7-10-21(11-8-15)16-6-9-20-17(12-16)18(23)22(24)13-14-4-2-1-3-5-14/h1-6,9,12,15,24H,7-8,10-11,13H2.
What are the key properties of N-benzyl-4-(4-fluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide?
N-benzyl-4-(4-fluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-fluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 71523630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).