2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate

C26H34N4O4 — CID 66682133

IUPAC2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate
SMILESCc1cccc(C=NNc2cc(N3CCOCC3)cc(OCCOC(=O)C3CCCCC3)n2)c1
InChIInChI=1S/C26H34N4O4/c1-20-6-5-7-21(16-20)19-27-29-24-17-23(30-10-12-32-13-11-30)18-25(28-24)33-14-15-34-26(31)22-8-3-2-4-9-22/h5-7,16-19,22H,2-4,8-15H2,1H3,(H,28,29)
InChIKeyNZZYIHKGBYTCQM-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.17
Rot. Bonds9

About 2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate

2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate (PubChem CID 66682133) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate.

Molecular Properties

Compound Name2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate
PubChem CID66682133
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate
SMILESCc1cccc(C=NNc2cc(N3CCOCC3)cc(OCCOC(=O)C3CCCCC3)n2)c1
InChIInChI=1S/C26H34N4O4/c1-20-6-5-7-21(16-20)19-27-29-24-17-23(30-10-12-32-13-11-30)18-25(28-24)33-14-15-34-26(31)22-8-3-2-4-9-22/h5-7,16-19,22H,2-4,8-15H2,1H3,(H,28,29)
InChIKeyNZZYIHKGBYTCQM-UHFFFAOYSA-N
XLogP4.17
TPSA85.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate?
The IUPAC name of 2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate (CID 66682133) is 2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate.
What is the SMILES notation for 2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate?
The canonical SMILES for 2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate is Cc1cccc(C=NNc2cc(N3CCOCC3)cc(OCCOC(=O)C3CCCCC3)n2)c1.
What is the InChIKey of 2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate?
The InChIKey is NZZYIHKGBYTCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-20-6-5-7-21(16-20)19-27-29-24-17-23(30-10-12-32-13-11-30)18-25(28-24)33-14-15-34-26(31)22-8-3-2-4-9-22/h5-7,16-19,22H,2-4,8-15H2,1H3,(H,28,29).
What are the key properties of 2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate?
2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate has a molecular weight of 466.58 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate is sourced from PubChem (CID 66682133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).