N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide

C14H16F3N3O2 — CID 5078683

IUPACN'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCCC1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)11-6-7-18-8-10(11)13(22)20-19-12(21)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,21)(H,20,22)
InChIKeyHXJHXJWTHOUDCY-UHFFFAOYSA-N
MW315.29 g/mol
LogP2.44
Rot. Bonds2

About N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide

N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide (PubChem CID 5078683) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.29 g/mol. Its IUPAC name is N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
PubChem CID5078683
Molecular FormulaC14H16F3N3O2
Molecular Weight315.29 g/mol
Exact Mass315.12
IUPAC NameN'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCCC1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)11-6-7-18-8-10(11)13(22)20-19-12(21)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,21)(H,20,22)
InChIKeyHXJHXJWTHOUDCY-UHFFFAOYSA-N
XLogP2.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.44
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 N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide (CID 5078683) is N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide is O=C(NNC(=O)C1CCCCC1)c1cnccc1C(F)(F)F.
What is the InChIKey of N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The InChIKey is HXJHXJWTHOUDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c15-14(16,17)11-6-7-18-8-10(11)13(22)20-19-12(21)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,21)(H,20,22).
What are the key properties of N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide has a molecular weight of 315.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 5078683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).