2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide

C17H16F3N5O4 — CID 54216258

IUPAC2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide
SMILESNNC(=O)C(=O)NNCCC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H16F3N5O4/c18-17(19,20)10-3-1-4-11(9-10)29-14-6-2-5-12(23-14)13(26)7-8-22-25-16(28)15(27)24-21/h1-6,9,22H,7-8,21H2,(H,24,27)(H,25,28)
InChIKeyPZKAJKUUEWERNN-UHFFFAOYSA-N
MW411.34 g/mol
LogP1.08
Rot. Bonds7

About 2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide

2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide (PubChem CID 54216258) has the molecular formula C17H16F3N5O4 and a molecular weight of 411.34 g/mol. Its IUPAC name is 2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide.

Molecular Properties

Compound Name2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide
PubChem CID54216258
Molecular FormulaC17H16F3N5O4
Molecular Weight411.34 g/mol
Exact Mass411.12
IUPAC Name2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide
SMILESNNC(=O)C(=O)NNCCC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H16F3N5O4/c18-17(19,20)10-3-1-4-11(9-10)29-14-6-2-5-12(23-14)13(26)7-8-22-25-16(28)15(27)24-21/h1-6,9,22H,7-8,21H2,(H,24,27)(H,25,28)
InChIKeyPZKAJKUUEWERNN-UHFFFAOYSA-N
XLogP1.08
TPSA135.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.34
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide with MolForge

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Related Compounds

6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 18326225
3-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 69484751
6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid
CID 15790812
4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 148921014
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine
CID 18974771
5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 71150981
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 166073971
N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide
CID 27662248
2-methoxy-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 43262396

Frequently Asked Questions

What is the IUPAC name of 2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide?
The IUPAC name of 2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide (CID 54216258) is 2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide.
What is the SMILES notation for 2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide?
The canonical SMILES for 2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide is NNC(=O)C(=O)NNCCC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide?
The InChIKey is PZKAJKUUEWERNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O4/c18-17(19,20)10-3-1-4-11(9-10)29-14-6-2-5-12(23-14)13(26)7-8-22-25-16(28)15(27)24-21/h1-6,9,22H,7-8,21H2,(H,24,27)(H,25,28).
What are the key properties of 2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide?
2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide has a molecular weight of 411.34 g/mol, XLogP of 1.08, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide is sourced from PubChem (CID 54216258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).