1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione

C23H27N5O4 — CID 118162393

IUPAC1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(OCCN3CC(=O)CC3=O)n2)c1
InChIInChI=1S/C23H27N5O4/c1-17-3-2-4-18(11-17)15-24-26-21-12-19(27-5-8-31-9-6-27)13-22(25-21)32-10-7-28-16-20(29)14-23(28)30/h2-4,11-13,15H,5-10,14,16H2,1H3,(H,25,26)/b24-15+
InChIKeyFPALCCZIYVPAKA-BUVRLJJBSA-N
MW437.50 g/mol
LogP1.85
Rot. Bonds8

About 1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione

1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione (PubChem CID 118162393) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione
PubChem CID118162393
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(OCCN3CC(=O)CC3=O)n2)c1
InChIInChI=1S/C23H27N5O4/c1-17-3-2-4-18(11-17)15-24-26-21-12-19(27-5-8-31-9-6-27)13-22(25-21)32-10-7-28-16-20(29)14-23(28)30/h2-4,11-13,15H,5-10,14,16H2,1H3,(H,25,26)/b24-15+
InChIKeyFPALCCZIYVPAKA-BUVRLJJBSA-N
XLogP1.85
TPSA96.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione
CID 72963066
6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682225
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
N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-yloxyethoxy)pyridin-2-amine
CID 66683643
2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl morpholine-4-carboxylate
CID 11431329
4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one
CID 59673873
6-[2-(diethylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682112
2-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethanol
CID 66682083
6-[2-(cyclohexylideneamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11224336
N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-[3-(1-oxidopyridin-1-ium-2-yl)propoxy]pyridin-2-amine
CID 66683496
6-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11190459

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione?
The IUPAC name of 1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione (CID 118162393) is 1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione?
The canonical SMILES for 1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione is Cc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(OCCN3CC(=O)CC3=O)n2)c1.
What is the InChIKey of 1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione?
The InChIKey is FPALCCZIYVPAKA-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-17-3-2-4-18(11-17)15-24-26-21-12-19(27-5-8-31-9-6-27)13-22(25-21)32-10-7-28-16-20(29)14-23(28)30/h2-4,11-13,15H,5-10,14,16H2,1H3,(H,25,26)/b24-15+.
What are the key properties of 1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione?
1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione has a molecular weight of 437.50 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 118162393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).