[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate

C20H15N3O3 — CID 5369591

IUPAC[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
SMILESO=C(N/N=C\c1ccc(OC(=O)c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C20H15N3O3/c24-19(17-7-4-12-21-14-17)23-22-13-15-8-10-18(11-9-15)26-20(25)16-5-2-1-3-6-16/h1-14H,(H,23,24)/b22-13-
InChIKeyWHIOEHMATHMRLX-XKZIYDEJSA-N
MW345.36 g/mol
LogP3.06
Rot. Bonds5

About [4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate

[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate (PubChem CID 5369591) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is [4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
PubChem CID5369591
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
SMILESO=C(N/N=C\c1ccc(OC(=O)c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C20H15N3O3/c24-19(17-7-4-12-21-14-17)23-22-13-15-8-10-18(11-9-15)26-20(25)16-5-2-1-3-6-16/h1-14H,(H,23,24)/b22-13-
InChIKeyWHIOEHMATHMRLX-XKZIYDEJSA-N
XLogP3.06
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
CID 4522806
[4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
CID 3277359
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 1206119
2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 44714938
[4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
CID 2326727
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 3965580
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
[4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 110512271
[4-[(Z)-[[3-[(2Z)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6088439
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 6241876
[4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
CID 6266025
[4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 25252626

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate?
The IUPAC name of [4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate (CID 5369591) is [4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate.
What is the SMILES notation for [4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate?
The canonical SMILES for [4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate is O=C(N/N=C\c1ccc(OC(=O)c2ccccc2)cc1)c1cccnc1.
What is the InChIKey of [4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate?
The InChIKey is WHIOEHMATHMRLX-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-19(17-7-4-12-21-14-17)23-22-13-15-8-10-18(11-9-15)26-20(25)16-5-2-1-3-6-16/h1-14H,(H,23,24)/b22-13-.
What are the key properties of [4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate?
[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate has a molecular weight of 345.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate is sourced from PubChem (CID 5369591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).