[(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide

C22H24N7O3- — CID 143611282

IUPAC[(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide
SMILES[H]/N=C(/COc1ccnc(NC(=O)N2CCOCC2)c1)[N-]C(/C=C\C(=N\[H])c1ccccc1)=N/[H]
InChIInChI=1S/C22H25N7O3/c23-18(16-4-2-1-3-5-16)6-7-19(24)27-20(25)15-32-17-8-9-26-21(14-17)28-22(30)29-10-12-31-13-11-29/h1-9,14,23H,10-13,15H2,(H4,24,25,26,27,28,30)/p-1/b7-6-,23-18-
InChIKeyVHPRBLDWUBGLEH-PDFUVWIYSA-M
MW434.48 g/mol
LogP3.28
Rot. Bonds7

About [(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide

[(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide (PubChem CID 143611282) has the molecular formula C22H24N7O3- and a molecular weight of 434.48 g/mol. Its IUPAC name is [(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide.

Molecular Properties

Compound Name[(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide
PubChem CID143611282
Molecular FormulaC22H24N7O3-
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name[(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide
SMILES[H]/N=C(/COc1ccnc(NC(=O)N2CCOCC2)c1)[N-]C(/C=C\C(=N\[H])c1ccccc1)=N/[H]
InChIInChI=1S/C22H25N7O3/c23-18(16-4-2-1-3-5-16)6-7-19(24)27-20(25)15-32-17-8-9-26-21(14-17)28-22(30)29-10-12-31-13-11-29/h1-9,14,23H,10-13,15H2,(H4,24,25,26,27,28,30)/p-1/b7-6-,23-18-
InChIKeyVHPRBLDWUBGLEH-PDFUVWIYSA-M
XLogP3.28
TPSA149.34 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide with MolForge

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Related Compounds

ethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 145459204
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide
CID 102821736
2-[3-(morpholine-4-carbonylamino)phenoxy]acetic acid
CID 61187144
N-(5-phenyl-1H-pyrazol-3-yl)morpholine-4-carboxamide
CID 110868204
1-N'-(4-fluorophenyl)-1-N'-[4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
CID 68688792
N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide
CID 23153290
N-[4-[3-chloro-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 73053686
(E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one
CID 10566847
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
N-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]morpholine-4-carboxamide
CID 46235389
N-(5-methyl-1H-pyrazol-3-yl)morpholine-4-carboxamide
CID 78993786

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide?
The IUPAC name of [(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide (CID 143611282) is [(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide.
What is the SMILES notation for [(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide?
The canonical SMILES for [(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide is [H]/N=C(/COc1ccnc(NC(=O)N2CCOCC2)c1)[N-]C(/C=C\C(=N\[H])c1ccccc1)=N/[H].
What is the InChIKey of [(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide?
The InChIKey is VHPRBLDWUBGLEH-PDFUVWIYSA-M. The full InChI is InChI=1S/C22H25N7O3/c23-18(16-4-2-1-3-5-16)6-7-19(24)27-20(25)15-32-17-8-9-26-21(14-17)28-22(30)29-10-12-31-13-11-29/h1-9,14,23H,10-13,15H2,(H4,24,25,26,27,28,30)/p-1/b7-6-,23-18-.
What are the key properties of [(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide?
[(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide has a molecular weight of 434.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-imino-4-phenylbut-2-enimidoyl]-[2-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]ethanimidoyl]azanide is sourced from PubChem (CID 143611282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).