N'-(2-fluoro-4-pyridinyl)-3-hydroxy-3-propylhexanehydrazide

C14H22FN3O2 — CID 110028290

IUPACN'-(2-fluoro-4-pyridinyl)-3-hydroxy-3-propylhexanehydrazide
SMILESCCCC(O)(CCC)CC(=O)NNc1ccnc(F)c1
InChIInChI=1S/C14H22FN3O2/c1-3-6-14(20,7-4-2)10-13(19)18-17-11-5-8-16-12(15)9-11/h5,8-9,20H,3-4,6-7,10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyTVMHXLREWDKFJI-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.39
Rot. Bonds8

About N'-(2-fluoro-4-pyridinyl)-3-hydroxy-3-propylhexanehydrazide

N'-(2-fluoro-4-pyridinyl)-3-hydroxy-3-propylhexanehydrazide (PubChem CID 110028290) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is N'-(2-fluoro-4-pyridinyl)-3-hydroxy-3-propylhexanehydrazide.

Molecular Properties

Compound NameN'-(2-fluoro-4-pyridinyl)-3-hydroxy-3-propylhexanehydrazide
PubChem CID110028290
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC NameN'-(2-fluoro-4-pyridinyl)-3-hydroxy-3-propylhexanehydrazide
SMILESCCCC(O)(CCC)CC(=O)NNc1ccnc(F)c1
InChIInChI=1S/C14H22FN3O2/c1-3-6-14(20,7-4-2)10-13(19)18-17-11-5-8-16-12(15)9-11/h5,8-9,20H,3-4,6-7,10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyTVMHXLREWDKFJI-UHFFFAOYSA-N
XLogP2.39
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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'-(2-fluoro-4-pyridinyl)-3-hydroxy-3-propylhexanehydrazide?
The IUPAC name of N'-(2-fluoro-4-pyridinyl)-3-hydroxy-3-propylhexanehydrazide (CID 110028290) is N'-(2-fluoro-4-pyridinyl)-3-hydroxy-3-propylhexanehydrazide.
What is the SMILES notation for N'-(2-fluoro-4-pyridinyl)-3-hydroxy-3-propylhexanehydrazide?
The canonical SMILES for N'-(2-fluoro-4-pyridinyl)-3-hydroxy-3-propylhexanehydrazide is CCCC(O)(CCC)CC(=O)NNc1ccnc(F)c1.
What is the InChIKey of N'-(2-fluoro-4-pyridinyl)-3-hydroxy-3-propylhexanehydrazide?
The InChIKey is TVMHXLREWDKFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-3-6-14(20,7-4-2)10-13(19)18-17-11-5-8-16-12(15)9-11/h5,8-9,20H,3-4,6-7,10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N'-(2-fluoro-4-pyridinyl)-3-hydroxy-3-propylhexanehydrazide?
N'-(2-fluoro-4-pyridinyl)-3-hydroxy-3-propylhexanehydrazide has a molecular weight of 283.35 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-4-pyridinyl)-3-hydroxy-3-propylhexanehydrazide is sourced from PubChem (CID 110028290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).