[4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate

C23H17N3O2 — CID 6266025

IUPAC[4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
SMILESO=C(Oc1ccc(/C=N\Nc2ccc3ccccc3c2)cc1)c1cccnc1
InChIInChI=1S/C23H17N3O2/c27-23(20-6-3-13-24-16-20)28-22-11-7-17(8-12-22)15-25-26-21-10-9-18-4-1-2-5-19(18)14-21/h1-16,26H/b25-15-
InChIKeyMYQUMNXRWOLAAS-MYYYXRDXSA-N
MW367.41 g/mol
LogP4.90
Rot. Bonds5

About [4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate

[4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate (PubChem CID 6266025) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is [4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
PubChem CID6266025
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name[4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
SMILESO=C(Oc1ccc(/C=N\Nc2ccc3ccccc3c2)cc1)c1cccnc1
InChIInChI=1S/C23H17N3O2/c27-23(20-6-3-13-24-16-20)28-22-11-7-17(8-12-22)15-25-26-21-10-9-18-4-1-2-5-19(18)14-21/h1-16,26H/b25-15-
InChIKeyMYQUMNXRWOLAAS-MYYYXRDXSA-N
XLogP4.90
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.90
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'}

Analyze [4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
CID 3277359
[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 5369591
3-[(2E)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110505202
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
CID 4522806
[4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
CID 2326727
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 1206119
[4-[(Z)-[[2-[(4-methoxyphenyl)sulfamoyl]-4-nitrophenyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
CID 6005718
N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide
CID 154631889
[4-[(E)-[[4-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
CID 6906690
[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 3,5-dinitrobenzoate
CID 6241136
[2-methoxy-4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
CID 9014749

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate?
The IUPAC name of [4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate (CID 6266025) is [4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate.
What is the SMILES notation for [4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate?
The canonical SMILES for [4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate is O=C(Oc1ccc(/C=N\Nc2ccc3ccccc3c2)cc1)c1cccnc1.
What is the InChIKey of [4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate?
The InChIKey is MYQUMNXRWOLAAS-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-23(20-6-3-13-24-16-20)28-22-11-7-17(8-12-22)15-25-26-21-10-9-18-4-1-2-5-19(18)14-21/h1-16,26H/b25-15-.
What are the key properties of [4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate?
[4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate is sourced from PubChem (CID 6266025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).