N'-[2-(4-chlorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide

C21H17ClFN3O3 — CID 30837049

IUPACN'-[2-(4-chlorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H17ClFN3O3/c22-16-7-3-14(4-8-16)12-19(27)24-25-20(28)18-2-1-11-26(21(18)29)13-15-5-9-17(23)10-6-15/h1-11H,12-13H2,(H,24,27)(H,25,28)
InChIKeyHVJNKBQDLAQDBS-UHFFFAOYSA-N
MW413.84 g/mol
LogP2.69
Rot. Bonds5

About N'-[2-(4-chlorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide

N'-[2-(4-chlorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide (PubChem CID 30837049) has the molecular formula C21H17ClFN3O3 and a molecular weight of 413.84 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
PubChem CID30837049
Molecular FormulaC21H17ClFN3O3
Molecular Weight413.84 g/mol
Exact Mass413.09
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H17ClFN3O3/c22-16-7-3-14(4-8-16)12-19(27)24-25-20(28)18-2-1-11-26(21(18)29)13-15-5-9-17(23)10-6-15/h1-11H,12-13H2,(H,24,27)(H,25,28)
InChIKeyHVJNKBQDLAQDBS-UHFFFAOYSA-N
XLogP2.69
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(4-chlorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-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'-[2-(4-chlorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide (CID 30837049) is N'-[2-(4-chlorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide is O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
The InChIKey is HVJNKBQDLAQDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O3/c22-16-7-3-14(4-8-16)12-19(27)24-25-20(28)18-2-1-11-26(21(18)29)13-15-5-9-17(23)10-6-15/h1-11H,12-13H2,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide has a molecular weight of 413.84 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 30837049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).