2-[2-methyl-5-(trifluoromethyl)phenyl]-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide

C20H17F3N4O — CID 142775571

IUPAC2-[2-methyl-5-(trifluoromethyl)phenyl]-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide
SMILESCc1ccc(C(F)(F)F)cc1-c1ncccc1C(=O)NNCc1ccncc1
InChIInChI=1S/C20H17F3N4O/c1-13-4-5-15(20(21,22)23)11-17(13)18-16(3-2-8-25-18)19(28)27-26-12-14-6-9-24-10-7-14/h2-11,26H,12H2,1H3,(H,27,28)
InChIKeyMEQFFIOPKMVFEP-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.91
Rot. Bonds5

About 2-[2-methyl-5-(trifluoromethyl)phenyl]-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide

2-[2-methyl-5-(trifluoromethyl)phenyl]-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide (PubChem CID 142775571) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-[2-methyl-5-(trifluoromethyl)phenyl]-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-[2-methyl-5-(trifluoromethyl)phenyl]-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide
PubChem CID142775571
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name2-[2-methyl-5-(trifluoromethyl)phenyl]-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide
SMILESCc1ccc(C(F)(F)F)cc1-c1ncccc1C(=O)NNCc1ccncc1
InChIInChI=1S/C20H17F3N4O/c1-13-4-5-15(20(21,22)23)11-17(13)18-16(3-2-8-25-18)19(28)27-26-12-14-6-9-24-10-7-14/h2-11,26H,12H2,1H3,(H,27,28)
InChIKeyMEQFFIOPKMVFEP-UHFFFAOYSA-N
XLogP3.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-methyl-5-(trifluoromethyl)phenyl]-N'-(pyridin-4-ylmethyl)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

Losmapimod
CID 11552706
N'-[1-(2-pyridinyl)ethylidene]-1-naphthohydrazide
CID 9618012
Di-2-pyridyl ketone benzoylhydrazone
CID 688285
N-[4-(N-[2-[2,4-bis(trifluoromethyl)phenyl]acetyl]anilino)but-2-ynyl]pyridine-3-carboxamide
CID 168271607
6-Phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]nicotinamide
CID 59743886
N'-(1-pyridin-3-ylethylidene)-2-naphthohydrazide
CID 9616107
N'-benzoyl-4-(trifluoromethyl)nicotinohydrazide
CID 2726879
Nicotinic acid N'-[3-(4-isopropyl-phenyl)-acryloyl]-hydrazide
CID 702141
6-(5-cyclopropylcarbamoyl-3-fluoro-2-methyl-phenyl)-N-(2-methylpropyl)-nicotinamide
CID 21914620
5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060383
5-(3,5-dimethylphenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060653
N-[[4-(dimethylamino)phenyl]methyl]-5-(3,5-dimethylphenyl)-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060655

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(trifluoromethyl)phenyl]-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide?
The IUPAC name of 2-[2-methyl-5-(trifluoromethyl)phenyl]-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide (CID 142775571) is 2-[2-methyl-5-(trifluoromethyl)phenyl]-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 2-[2-methyl-5-(trifluoromethyl)phenyl]-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide?
The canonical SMILES for 2-[2-methyl-5-(trifluoromethyl)phenyl]-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide is Cc1ccc(C(F)(F)F)cc1-c1ncccc1C(=O)NNCc1ccncc1.
What is the InChIKey of 2-[2-methyl-5-(trifluoromethyl)phenyl]-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide?
The InChIKey is MEQFFIOPKMVFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-13-4-5-15(20(21,22)23)11-17(13)18-16(3-2-8-25-18)19(28)27-26-12-14-6-9-24-10-7-14/h2-11,26H,12H2,1H3,(H,27,28).
What are the key properties of 2-[2-methyl-5-(trifluoromethyl)phenyl]-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide?
2-[2-methyl-5-(trifluoromethyl)phenyl]-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide has a molecular weight of 386.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(trifluoromethyl)phenyl]-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 142775571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).