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

C21H17F2N3O3 — CID 30836978

IUPACN'-[2-(4-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H17F2N3O3/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)
InChIKeyIEEDOVCVXSQBKB-UHFFFAOYSA-N
MW397.38 g/mol
LogP2.18
Rot. Bonds5

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

N'-[2-(4-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide (PubChem CID 30836978) has the molecular formula C21H17F2N3O3 and a molecular weight of 397.38 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
PubChem CID30836978
Molecular FormulaC21H17F2N3O3
Molecular Weight397.38 g/mol
Exact Mass397.12
IUPAC NameN'-[2-(4-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H17F2N3O3/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)
InChIKeyIEEDOVCVXSQBKB-UHFFFAOYSA-N
XLogP2.18
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 52.18
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-fluorophenyl)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

Related Compounds

1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide
CID 30836963
1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide
CID 30837004
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598014
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726
1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7597717
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7597691
N'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
CID 30837067
1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
CID 30859552
1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide
CID 7597790
1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea
CID 30859523
N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide
CID 26786259
1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea
CID 30859558

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide (CID 30836978) is N'-[2-(4-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide is O=C(Cc1ccc(F)cc1)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of N'-[2-(4-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
The InChIKey is IEEDOVCVXSQBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O3/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-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
N'-[2-(4-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide has a molecular weight of 397.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 30836978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).