methyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate

C21H19N3O6 — CID 9015156

IUPACmethyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(/C=N\NC(=O)c3ccncc3)cc2OC)o1
InChIInChI=1S/C21H19N3O6/c1-27-19-11-14(12-23-24-20(25)15-7-9-22-10-8-15)3-5-17(19)29-13-16-4-6-18(30-16)21(26)28-2/h3-12H,13H2,1-2H3,(H,24,25)/b23-12-
InChIKeyBEFKVANYOIUJOF-FMCGGJTJSA-N
MW409.40 g/mol
LogP2.81
Rot. Bonds8

About methyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate

methyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate (PubChem CID 9015156) has the molecular formula C21H19N3O6 and a molecular weight of 409.40 g/mol. Its IUPAC name is methyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate
PubChem CID9015156
Molecular FormulaC21H19N3O6
Molecular Weight409.40 g/mol
Exact Mass409.13
IUPAC Namemethyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(/C=N\NC(=O)c3ccncc3)cc2OC)o1
InChIInChI=1S/C21H19N3O6/c1-27-19-11-14(12-23-24-20(25)15-7-9-22-10-8-15)3-5-17(19)29-13-16-4-6-18(30-16)21(26)28-2/h3-12H,13H2,1-2H3,(H,24,25)/b23-12-
InChIKeyBEFKVANYOIUJOF-FMCGGJTJSA-N
XLogP2.81
TPSA112.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate with MolForge

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Related Compounds

N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 110514701
methyl 5-[[4-[[(2-hydroxy-3-methylbenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate
CID 4680787
N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 19183031
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6894142
N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 110514772
N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 110514723
5-[[4-[(Z)-[(3-hydroxy-4-iodobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid
CID 126390014
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 4011068
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 3663554
N-[(E)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 6909357
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate
CID 3373478
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 2690726

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate (CID 9015156) is methyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate is COC(=O)c1ccc(COc2ccc(/C=N\NC(=O)c3ccncc3)cc2OC)o1.
What is the InChIKey of methyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate?
The InChIKey is BEFKVANYOIUJOF-FMCGGJTJSA-N. The full InChI is InChI=1S/C21H19N3O6/c1-27-19-11-14(12-23-24-20(25)15-7-9-22-10-8-15)3-5-17(19)29-13-16-4-6-18(30-16)21(26)28-2/h3-12H,13H2,1-2H3,(H,24,25)/b23-12-.
What are the key properties of methyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate?
methyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate has a molecular weight of 409.40 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate is sourced from PubChem (CID 9015156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).