4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one

C23H30N4O4 — CID 59673873

IUPAC4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one
SMILESCC(=O)CCOCCOc1cc(N2CCOCC2)cc(N/N=C/c2cccc(C)c2)n1
InChIInChI=1S/C23H30N4O4/c1-18-4-3-5-20(14-18)17-24-26-22-15-21(27-7-10-30-11-8-27)16-23(25-22)31-13-12-29-9-6-19(2)28/h3-5,14-17H,6-13H2,1-2H3,(H,25,26)/b24-17+
InChIKeyHORKZQPSEBFXBR-JJIBRWJFSA-N
MW426.52 g/mol
LogP3.05
Rot. Bonds11

About 4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one

4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one (PubChem CID 59673873) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one.

Molecular Properties

Compound Name4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one
PubChem CID59673873
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one
SMILESCC(=O)CCOCCOc1cc(N2CCOCC2)cc(N/N=C/c2cccc(C)c2)n1
InChIInChI=1S/C23H30N4O4/c1-18-4-3-5-20(14-18)17-24-26-22-15-21(27-7-10-30-11-8-27)16-23(25-22)31-13-12-29-9-6-19(2)28/h3-5,14-17H,6-13H2,1-2H3,(H,25,26)/b24-17+
InChIKeyHORKZQPSEBFXBR-JJIBRWJFSA-N
XLogP3.05
TPSA85.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.05
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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Launch Full Analysis

Related Compounds

2-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethanol
CID 66682083
2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl morpholine-4-carboxylate
CID 11431329
N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-yloxyethoxy)pyridin-2-amine
CID 66683643
6-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11314679
6-[2-(methylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66683567
6-[2-(diethylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682112
2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate
CID 66682133
cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate
CID 11431589
6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682225
1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione
CID 118162393
6-[2-(cyclohexylideneamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11224336
1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione
CID 72963066

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one?
The IUPAC name of 4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one (CID 59673873) is 4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one.
What is the SMILES notation for 4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one?
The canonical SMILES for 4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one is CC(=O)CCOCCOc1cc(N2CCOCC2)cc(N/N=C/c2cccc(C)c2)n1.
What is the InChIKey of 4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one?
The InChIKey is HORKZQPSEBFXBR-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-18-4-3-5-20(14-18)17-24-26-22-15-21(27-7-10-30-11-8-27)16-23(25-22)31-13-12-29-9-6-19(2)28/h3-5,14-17H,6-13H2,1-2H3,(H,25,26)/b24-17+.
What are the key properties of 4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one?
4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one has a molecular weight of 426.52 g/mol, XLogP of 3.05, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one is sourced from PubChem (CID 59673873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).