4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide

C20H16F3N3O — CID 139224365

IUPAC4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESCc1ccc(C(=O)NNc2cc(C(F)(F)F)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H16F3N3O/c1-13-7-9-15(10-8-13)19(27)26-25-18-12-16(20(21,22)23)11-17(24-18)14-5-3-2-4-6-14/h2-12H,1H3,(H,24,25)(H,26,27)
InChIKeyOLQUIZQHBRVXIE-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.83
Rot. Bonds4

About 4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide

4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide (PubChem CID 139224365) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
PubChem CID139224365
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESCc1ccc(C(=O)NNc2cc(C(F)(F)F)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H16F3N3O/c1-13-7-9-15(10-8-13)19(27)26-25-18-12-16(20(21,22)23)11-17(24-18)14-5-3-2-4-6-14/h2-12H,1H3,(H,24,25)(H,26,27)
InChIKeyOLQUIZQHBRVXIE-UHFFFAOYSA-N
XLogP4.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The IUPAC name of 4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide (CID 139224365) is 4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide.
What is the SMILES notation for 4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The canonical SMILES for 4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide is Cc1ccc(C(=O)NNc2cc(C(F)(F)F)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The InChIKey is OLQUIZQHBRVXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-13-7-9-15(10-8-13)19(27)26-25-18-12-16(20(21,22)23)11-17(24-18)14-5-3-2-4-6-14/h2-12H,1H3,(H,24,25)(H,26,27).
What are the key properties of 4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide has a molecular weight of 371.36 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide is sourced from PubChem (CID 139224365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).