6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide

C15H23N3O2 — CID 106908788

IUPAC6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide
SMILESCCC1CCCCC1OCc1cccc(C(=O)NN)n1
InChIInChI=1S/C15H23N3O2/c1-2-11-6-3-4-9-14(11)20-10-12-7-5-8-13(17-12)15(19)18-16/h5,7-8,11,14H,2-4,6,9-10,16H2,1H3,(H,18,19)
InChIKeyCFCUBPICGMBOAF-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.17
Rot. Bonds5

About 6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide

6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide (PubChem CID 106908788) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide
PubChem CID106908788
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide
SMILESCCC1CCCCC1OCc1cccc(C(=O)NN)n1
InChIInChI=1S/C15H23N3O2/c1-2-11-6-3-4-9-14(11)20-10-12-7-5-8-13(17-12)15(19)18-16/h5,7-8,11,14H,2-4,6,9-10,16H2,1H3,(H,18,19)
InChIKeyCFCUBPICGMBOAF-UHFFFAOYSA-N
XLogP2.17
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide (CID 106908788) is 6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide is CCC1CCCCC1OCc1cccc(C(=O)NN)n1.
What is the InChIKey of 6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide?
The InChIKey is CFCUBPICGMBOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-11-6-3-4-9-14(11)20-10-12-7-5-8-13(17-12)15(19)18-16/h5,7-8,11,14H,2-4,6,9-10,16H2,1H3,(H,18,19).
What are the key properties of 6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide?
6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide has a molecular weight of 277.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106908788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).