N'-(1,1-dioxothiolan-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-2-carbohydrazide

C17H18FN3O3S — CID 71087968

IUPACN'-(1,1-dioxothiolan-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-2-carbohydrazide
SMILESO=C(NNC1CCS(=O)(=O)C1)c1cccc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H18FN3O3S/c18-13-6-4-12(5-7-13)10-14-2-1-3-16(19-14)17(22)21-20-15-8-9-25(23,24)11-15/h1-7,15,20H,8-11H2,(H,21,22)
InChIKeySNWZKKGQPMUFNT-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.23
Rot. Bonds5

About N'-(1,1-dioxothiolan-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-2-carbohydrazide

N'-(1,1-dioxothiolan-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-2-carbohydrazide (PubChem CID 71087968) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is N'-(1,1-dioxothiolan-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(1,1-dioxothiolan-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-2-carbohydrazide
PubChem CID71087968
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC NameN'-(1,1-dioxothiolan-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-2-carbohydrazide
SMILESO=C(NNC1CCS(=O)(=O)C1)c1cccc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H18FN3O3S/c18-13-6-4-12(5-7-13)10-14-2-1-3-16(19-14)17(22)21-20-15-8-9-25(23,24)11-15/h1-7,15,20H,8-11H2,(H,21,22)
InChIKeySNWZKKGQPMUFNT-UHFFFAOYSA-N
XLogP1.23
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(1,1-dioxothiolan-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(1,1-dioxothiolan-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-(1,1-dioxothiolan-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-2-carbohydrazide (CID 71087968) is N'-(1,1-dioxothiolan-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(1,1-dioxothiolan-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-(1,1-dioxothiolan-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-2-carbohydrazide is O=C(NNC1CCS(=O)(=O)C1)c1cccc(Cc2ccc(F)cc2)n1.
What is the InChIKey of N'-(1,1-dioxothiolan-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-2-carbohydrazide?
The InChIKey is SNWZKKGQPMUFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c18-13-6-4-12(5-7-13)10-14-2-1-3-16(19-14)17(22)21-20-15-8-9-25(23,24)11-15/h1-7,15,20H,8-11H2,(H,21,22).
What are the key properties of N'-(1,1-dioxothiolan-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-2-carbohydrazide?
N'-(1,1-dioxothiolan-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-2-carbohydrazide has a molecular weight of 363.41 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-dioxothiolan-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 71087968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).