[2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate

C17H17N3O5 — CID 5402661

IUPAC[2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate
SMILESCOc1cc(/C=N\NC(=O)c2ccncc2)cc(OC)c1OC(C)=O
InChIInChI=1S/C17H17N3O5/c1-11(21)25-16-14(23-2)8-12(9-15(16)24-3)10-19-20-17(22)13-4-6-18-7-5-13/h4-10H,1-3H3,(H,20,22)/b19-10-
InChIKeyFDSMFJSQSGAHRW-GRSHGNNSSA-N
MW343.34 g/mol
LogP1.79
Rot. Bonds6

About [2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate

[2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate (PubChem CID 5402661) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is [2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate.

Molecular Properties

Compound Name[2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate
PubChem CID5402661
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name[2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate
SMILESCOc1cc(/C=N\NC(=O)c2ccncc2)cc(OC)c1OC(C)=O
InChIInChI=1S/C17H17N3O5/c1-11(21)25-16-14(23-2)8-12(9-15(16)24-3)10-19-20-17(22)13-4-6-18-7-5-13/h4-10H,1-3H3,(H,20,22)/b19-10-
InChIKeyFDSMFJSQSGAHRW-GRSHGNNSSA-N
XLogP1.79
TPSA99.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940
[2,6-dimethoxy-4-[(E)-[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 39818764
N-[(E)-(4-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135478100
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 110514781
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135604377
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate
CID 3373478
N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 41270292
2-[2-bromo-6-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
CID 5152075
N-[(Z)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 110514733
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 870831
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 4011068

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate?
The IUPAC name of [2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate (CID 5402661) is [2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate.
What is the SMILES notation for [2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate?
The canonical SMILES for [2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate is COc1cc(/C=N\NC(=O)c2ccncc2)cc(OC)c1OC(C)=O.
What is the InChIKey of [2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate?
The InChIKey is FDSMFJSQSGAHRW-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-11(21)25-16-14(23-2)8-12(9-15(16)24-3)10-19-20-17(22)13-4-6-18-7-5-13/h4-10H,1-3H3,(H,20,22)/b19-10-.
What are the key properties of [2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate?
[2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate has a molecular weight of 343.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate is sourced from PubChem (CID 5402661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).