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

C21H17N3O4 — CID 4011068

IUPAC[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
SMILESCOc1cc(C=NNC(=O)c2ccncc2)ccc1OC(=O)c1ccccc1
InChIInChI=1S/C21H17N3O4/c1-27-19-13-15(14-23-24-20(25)16-9-11-22-12-10-16)7-8-18(19)28-21(26)17-5-3-2-4-6-17/h2-14H,1H3,(H,24,25)
InChIKeyDRWILYHOQNJWIC-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.07
Rot. Bonds6

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

[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate (PubChem CID 4011068) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate.

Molecular Properties

Compound Name[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
PubChem CID4011068
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
SMILESCOc1cc(C=NNC(=O)c2ccncc2)ccc1OC(=O)c1ccccc1
InChIInChI=1S/C21H17N3O4/c1-27-19-13-15(14-23-24-20(25)16-9-11-22-12-10-16)7-8-18(19)28-21(26)17-5-3-2-4-6-17/h2-14H,1H3,(H,24,25)
InChIKeyDRWILYHOQNJWIC-UHFFFAOYSA-N
XLogP3.07
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 2690726
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate
CID 3373478
[4-[(Z)-[(3,5-dihydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 26871357
[2-methoxy-4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] pyridine-4-carboxylate
CID 9211835
[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 4292329
[4-[[(3-benzamidobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 126226042
[4-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 4255849
[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-butoxybenzoate
CID 4061810
[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] cyclopropanecarboxylate
CID 9015267
[2-methoxy-4-[(Z)-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]phenyl] pyridine-4-carboxylate
CID 9074890
tert-butyl [2-methoxy-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] carbonate
CID 45109190
[4-[(E)-[(5-bromo-2-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 6872836

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate?
The IUPAC name of [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate (CID 4011068) is [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate.
What is the SMILES notation for [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate?
The canonical SMILES for [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate is COc1cc(C=NNC(=O)c2ccncc2)ccc1OC(=O)c1ccccc1.
What is the InChIKey of [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate?
The InChIKey is DRWILYHOQNJWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-27-19-13-15(14-23-24-20(25)16-9-11-22-12-10-16)7-8-18(19)28-21(26)17-5-3-2-4-6-17/h2-14H,1H3,(H,24,25).
What are the key properties of [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate?
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate has a molecular weight of 375.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate is sourced from PubChem (CID 4011068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).