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

C20H22F3N5O2 — CID 134584303

IUPACN'-(2,2-difluoroacetyl)-6-[[1-(3-fluorophenyl)-4-methylpiperazin-2-yl]methyl]pyridine-3-carbohydrazide
SMILESCN1CCN(c2cccc(F)c2)C(Cc2ccc(C(=O)NNC(=O)C(F)F)cn2)C1
InChIInChI=1S/C20H22F3N5O2/c1-27-7-8-28(16-4-2-3-14(21)9-16)17(12-27)10-15-6-5-13(11-24-15)19(29)25-26-20(30)18(22)23/h2-6,9,11,17-18H,7-8,10,12H2,1H3,(H,25,29)(H,26,30)
InChIKeyDBDSXMMQWFUVEI-UHFFFAOYSA-N
MW421.42 g/mol
LogP1.61
Rot. Bonds5

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

N'-(2,2-difluoroacetyl)-6-[[1-(3-fluorophenyl)-4-methylpiperazin-2-yl]methyl]pyridine-3-carbohydrazide (PubChem CID 134584303) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is N'-(2,2-difluoroacetyl)-6-[[1-(3-fluorophenyl)-4-methylpiperazin-2-yl]methyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,2-difluoroacetyl)-6-[[1-(3-fluorophenyl)-4-methylpiperazin-2-yl]methyl]pyridine-3-carbohydrazide
PubChem CID134584303
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC NameN'-(2,2-difluoroacetyl)-6-[[1-(3-fluorophenyl)-4-methylpiperazin-2-yl]methyl]pyridine-3-carbohydrazide
SMILESCN1CCN(c2cccc(F)c2)C(Cc2ccc(C(=O)NNC(=O)C(F)F)cn2)C1
InChIInChI=1S/C20H22F3N5O2/c1-27-7-8-28(16-4-2-3-14(21)9-16)17(12-27)10-15-6-5-13(11-24-15)19(29)25-26-20(30)18(22)23/h2-6,9,11,17-18H,7-8,10,12H2,1H3,(H,25,29)(H,26,30)
InChIKeyDBDSXMMQWFUVEI-UHFFFAOYSA-N
XLogP1.61
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(2,2-difluoroacetyl)-6-[[1-(3-fluorophenyl)-4-methylpiperazin-2-yl]methyl]pyridine-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

Niaprazine
CID 71919
6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044
8-[[4-fluoro-3-(4-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 25120129
N-((R)-1-(5-((2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl)-3-fluoropyridin-2-yl)ethyl)-1-ethyl-2-(3-fluoro-5-(trifluoromethyl)benzoyl)hydrazinecarboxamide
CID 46230067
6-Phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]nicotinamide
CID 59743886
N'-benzoyl-4-(trifluoromethyl)nicotinohydrazide
CID 2726879
N-[2-(4-Fluoro-benzoylamino)-ethyl]-6-methyl-nicotinamide
CID 6498619
N'-{[2-(4-methylpiperazino)phenyl]methylene}nicotinohydrazide
CID 9580681
N-(3,4-difluorophenyl)-1-[(6-methyl-3-pyridinyl)carbonyl]-3-piperidinamine
CID 24791780
2-methyl-N-(4-(trifluoromethyl)phenyl)-6-(3-(trifluoromethyl)pyridin-2-yl)nicotinamide
CID 10387678
N-[5-(2-Fluoro-phenyl)-1-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-ylmethyl]-nicotinamide
CID 20190196
6-(3-Fluorophenyl)pyridine-3-carboxamide
CID 20609874

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroacetyl)-6-[[1-(3-fluorophenyl)-4-methylpiperazin-2-yl]methyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-(2,2-difluoroacetyl)-6-[[1-(3-fluorophenyl)-4-methylpiperazin-2-yl]methyl]pyridine-3-carbohydrazide (CID 134584303) is N'-(2,2-difluoroacetyl)-6-[[1-(3-fluorophenyl)-4-methylpiperazin-2-yl]methyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(2,2-difluoroacetyl)-6-[[1-(3-fluorophenyl)-4-methylpiperazin-2-yl]methyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-(2,2-difluoroacetyl)-6-[[1-(3-fluorophenyl)-4-methylpiperazin-2-yl]methyl]pyridine-3-carbohydrazide is CN1CCN(c2cccc(F)c2)C(Cc2ccc(C(=O)NNC(=O)C(F)F)cn2)C1.
What is the InChIKey of N'-(2,2-difluoroacetyl)-6-[[1-(3-fluorophenyl)-4-methylpiperazin-2-yl]methyl]pyridine-3-carbohydrazide?
The InChIKey is DBDSXMMQWFUVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c1-27-7-8-28(16-4-2-3-14(21)9-16)17(12-27)10-15-6-5-13(11-24-15)19(29)25-26-20(30)18(22)23/h2-6,9,11,17-18H,7-8,10,12H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N'-(2,2-difluoroacetyl)-6-[[1-(3-fluorophenyl)-4-methylpiperazin-2-yl]methyl]pyridine-3-carbohydrazide?
N'-(2,2-difluoroacetyl)-6-[[1-(3-fluorophenyl)-4-methylpiperazin-2-yl]methyl]pyridine-3-carbohydrazide has a molecular weight of 421.42 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroacetyl)-6-[[1-(3-fluorophenyl)-4-methylpiperazin-2-yl]methyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 134584303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).