[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate

C16H15N3O5 — CID 3373478

IUPAC[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate
SMILESCOC(=O)Oc1ccc(C=NNC(=O)c2ccncc2)cc1OC
InChIInChI=1S/C16H15N3O5/c1-22-14-9-11(3-4-13(14)24-16(21)23-2)10-18-19-15(20)12-5-7-17-8-6-12/h3-10H,1-2H3,(H,19,20)
InChIKeyWDONKRLDEQEBIP-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.00
Rot. Bonds5

About [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate

[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate (PubChem CID 3373478) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate.

Molecular Properties

Compound Name[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate
PubChem CID3373478
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate
SMILESCOC(=O)Oc1ccc(C=NNC(=O)c2ccncc2)cc1OC
InChIInChI=1S/C16H15N3O5/c1-22-14-9-11(3-4-13(14)24-16(21)23-2)10-18-19-15(20)12-5-7-17-8-6-12/h3-10H,1-2H3,(H,19,20)
InChIKeyWDONKRLDEQEBIP-UHFFFAOYSA-N
XLogP2.00
TPSA99.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.00
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': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

tert-butyl [2-methoxy-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] carbonate
CID 45109190
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 4011068
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 2690726
[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] cyclopropanecarboxylate
CID 9015267
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 870831
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6894142
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940
[2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate
CID 5402661
[2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 24818260
N-[(E)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 6909357
[2-methoxy-4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] pyridine-4-carboxylate
CID 9211835

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate?
The IUPAC name of [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate (CID 3373478) is [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate.
What is the SMILES notation for [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate?
The canonical SMILES for [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate is COC(=O)Oc1ccc(C=NNC(=O)c2ccncc2)cc1OC.
What is the InChIKey of [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate?
The InChIKey is WDONKRLDEQEBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-22-14-9-11(3-4-13(14)24-16(21)23-2)10-18-19-15(20)12-5-7-17-8-6-12/h3-10H,1-2H3,(H,19,20).
What are the key properties of [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate?
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate has a molecular weight of 329.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate is sourced from PubChem (CID 3373478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).