[1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate

C24H17N3O3 — CID 4071178

IUPAC[1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
SMILESO=C(NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12)c1cccnc1
InChIInChI=1S/C24H17N3O3/c28-23(19-10-6-14-25-15-19)27-26-16-21-20-11-5-4-7-17(20)12-13-22(21)30-24(29)18-8-2-1-3-9-18/h1-16H,(H,27,28)
InChIKeyYCYZUKRVYAKRCC-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.22
Rot. Bonds5

About [1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate

[1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate (PubChem CID 4071178) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is [1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate.

Molecular Properties

Compound Name[1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
PubChem CID4071178
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC Name[1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
SMILESO=C(NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12)c1cccnc1
InChIInChI=1S/C24H17N3O3/c28-23(19-10-6-14-25-15-19)27-26-16-21-20-11-5-4-7-17(20)12-13-22(21)30-24(29)18-8-2-1-3-9-18/h1-16H,(H,27,28)
InChIKeyYCYZUKRVYAKRCC-UHFFFAOYSA-N
XLogP4.22
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.22
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

[1-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 6002854
[1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 3442368
[1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 6092077
[1-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6186341
[1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 4093667
[1-[[(4-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3871773
[1-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 45054760
[1-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 6091808
[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 5369591
[1-[[(3-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3714949
[1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 6157269
[1-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
CID 5237201

Frequently Asked Questions

What is the IUPAC name of [1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate?
The IUPAC name of [1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate (CID 4071178) is [1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate.
What is the SMILES notation for [1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate?
The canonical SMILES for [1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate is O=C(NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12)c1cccnc1.
What is the InChIKey of [1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate?
The InChIKey is YCYZUKRVYAKRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-23(19-10-6-14-25-15-19)27-26-16-21-20-11-5-4-7-17(20)12-13-22(21)30-24(29)18-8-2-1-3-9-18/h1-16H,(H,27,28).
What are the key properties of [1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate?
[1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate has a molecular weight of 395.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate is sourced from PubChem (CID 4071178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).