2,5-diethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide

C17H19F3N4O — CID 134537821

IUPAC2,5-diethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESCCc1cnc(CC)c(C(=O)N(N)Cc2ccccn2)c1C(F)(F)F
InChIInChI=1S/C17H19F3N4O/c1-3-11-9-23-13(4-2)14(15(11)17(18,19)20)16(25)24(21)10-12-7-5-6-8-22-12/h5-9H,3-4,10,21H2,1-2H3
InChIKeyOYTHJGXTUNLLNI-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.14
Rot. Bonds5

About 2,5-diethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide

2,5-diethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide (PubChem CID 134537821) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 2,5-diethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2,5-diethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
PubChem CID134537821
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name2,5-diethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESCCc1cnc(CC)c(C(=O)N(N)Cc2ccccn2)c1C(F)(F)F
InChIInChI=1S/C17H19F3N4O/c1-3-11-9-23-13(4-2)14(15(11)17(18,19)20)16(25)24(21)10-12-7-5-6-8-22-12/h5-9H,3-4,10,21H2,1-2H3
InChIKeyOYTHJGXTUNLLNI-UHFFFAOYSA-N
XLogP3.14
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone
CID 464036
Sch 350634
CID 511332
6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044
(4-Isopropyl-piperazin-1-yl)-(6-piperidin-1-ylmethyl-pyridin-3-yl)-methanone
CID 11522780
6-Phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]nicotinamide
CID 59743886
N'-(2-Pyridylmethylene)nicotinohydrazide
CID 6885183
Piperazine, 1-(3-pyridinylcarbonyl)-4-(3-(trifluoromethyl)phenyl)-
CID 667537
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
5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060383

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The IUPAC name of 2,5-diethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide (CID 134537821) is 2,5-diethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 2,5-diethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The canonical SMILES for 2,5-diethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide is CCc1cnc(CC)c(C(=O)N(N)Cc2ccccn2)c1C(F)(F)F.
What is the InChIKey of 2,5-diethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The InChIKey is OYTHJGXTUNLLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-3-11-9-23-13(4-2)14(15(11)17(18,19)20)16(25)24(21)10-12-7-5-6-8-22-12/h5-9H,3-4,10,21H2,1-2H3.
What are the key properties of 2,5-diethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
2,5-diethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide has a molecular weight of 352.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 134537821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).