(2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone

C21H17N3O — CID 6524389

IUPAC(2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone
SMILESC/C(=N/N=C(\C(=O)c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C21H17N3O/c1-16(19-13-8-14-22-15-19)23-24-20(17-9-4-2-5-10-17)21(25)18-11-6-3-7-12-18/h2-15H,1H3/b23-16-,24-20-
InChIKeyGCSZBOOAQPOVKW-OBWIWDAPSA-N
MW327.39 g/mol
LogP4.18
Rot. Bonds5

About (2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone

(2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone (PubChem CID 6524389) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is (2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone.

Molecular Properties

Compound Name(2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone
PubChem CID6524389
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name(2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone
SMILESC/C(=N/N=C(\C(=O)c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C21H17N3O/c1-16(19-13-8-14-22-15-19)23-24-20(17-9-4-2-5-10-17)21(25)18-11-6-3-7-12-18/h2-15H,1H3/b23-16-,24-20-
InChIKeyGCSZBOOAQPOVKW-OBWIWDAPSA-N
XLogP4.18
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone
CID 50932502
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
N-[N-acetyl-N'-[(E)-1-pyridin-3-ylethylideneamino]carbamimidoyl]acetamide
CID 135813165
2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 3524909
N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide
CID 9074410
(2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 7612621
(Z)-N-[(Z)-1-pyridin-3-ylethylideneamino]fluoren-9-imine
CID 8980425
(E)-2-methyl-3-(1-pyridin-3-ylethylideneamino)but-2-enoic acid
CID 134228820
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 126810323
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937

Frequently Asked Questions

What is the IUPAC name of (2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone?
The IUPAC name of (2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone (CID 6524389) is (2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone.
What is the SMILES notation for (2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone?
The canonical SMILES for (2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone is C/C(=N/N=C(\C(=O)c1ccccc1)c1ccccc1)c1cccnc1.
What is the InChIKey of (2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone?
The InChIKey is GCSZBOOAQPOVKW-OBWIWDAPSA-N. The full InChI is InChI=1S/C21H17N3O/c1-16(19-13-8-14-22-15-19)23-24-20(17-9-4-2-5-10-17)21(25)18-11-6-3-7-12-18/h2-15H,1H3/b23-16-,24-20-.
What are the key properties of (2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone?
(2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone has a molecular weight of 327.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone is sourced from PubChem (CID 6524389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).