N'-[(1E,3Z)-2-benzyl-5-(2,4-dinitrophenyl)iminopenta-1,3-dienyl]pyridine-3-carbohydrazide

C24H20N6O5 — CID 10073527

IUPACN'-[(1E,3Z)-2-benzyl-5-(2,4-dinitrophenyl)iminopenta-1,3-dienyl]pyridine-3-carbohydrazide
SMILESO=C(NN/C=C(/C=C\C=N\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1)c1cccnc1
InChIInChI=1S/C24H20N6O5/c31-24(20-9-5-12-25-17-20)28-27-16-19(14-18-6-2-1-3-7-18)8-4-13-26-22-11-10-21(29(32)33)15-23(22)30(34)35/h1-13,15-17,27H,14H2,(H,28,31)/b8-4-,19-16-,26-13+
InChIKeyUNOYFICMCDRZJG-OMLOBXIJSA-N
MW472.46 g/mol
LogP4.22
Rot. Bonds10

About N'-[(1E,3Z)-2-benzyl-5-(2,4-dinitrophenyl)iminopenta-1,3-dienyl]pyridine-3-carbohydrazide

N'-[(1E,3Z)-2-benzyl-5-(2,4-dinitrophenyl)iminopenta-1,3-dienyl]pyridine-3-carbohydrazide (PubChem CID 10073527) has the molecular formula C24H20N6O5 and a molecular weight of 472.46 g/mol. Its IUPAC name is N'-[(1E,3Z)-2-benzyl-5-(2,4-dinitrophenyl)iminopenta-1,3-dienyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(1E,3Z)-2-benzyl-5-(2,4-dinitrophenyl)iminopenta-1,3-dienyl]pyridine-3-carbohydrazide
PubChem CID10073527
Molecular FormulaC24H20N6O5
Molecular Weight472.46 g/mol
Exact Mass472.15
IUPAC NameN'-[(1E,3Z)-2-benzyl-5-(2,4-dinitrophenyl)iminopenta-1,3-dienyl]pyridine-3-carbohydrazide
SMILESO=C(NN/C=C(/C=C\C=N\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1)c1cccnc1
InChIInChI=1S/C24H20N6O5/c31-24(20-9-5-12-25-17-20)28-27-16-19(14-18-6-2-1-3-7-18)8-4-13-26-22-11-10-21(29(32)33)15-23(22)30(34)35/h1-13,15-17,27H,14H2,(H,28,31)/b8-4-,19-16-,26-13+
InChIKeyUNOYFICMCDRZJG-OMLOBXIJSA-N
XLogP4.22
TPSA152.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.46
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(1E,3Z)-2-benzyl-5-(2,4-dinitrophenyl)iminopenta-1,3-dienyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[(1E,3Z)-2-benzyl-5-(2,4-dinitrophenyl)iminopenta-1,3-dienyl]pyridine-3-carbohydrazide (CID 10073527) is N'-[(1E,3Z)-2-benzyl-5-(2,4-dinitrophenyl)iminopenta-1,3-dienyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[(1E,3Z)-2-benzyl-5-(2,4-dinitrophenyl)iminopenta-1,3-dienyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[(1E,3Z)-2-benzyl-5-(2,4-dinitrophenyl)iminopenta-1,3-dienyl]pyridine-3-carbohydrazide is O=C(NN/C=C(/C=C\C=N\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1)c1cccnc1.
What is the InChIKey of N'-[(1E,3Z)-2-benzyl-5-(2,4-dinitrophenyl)iminopenta-1,3-dienyl]pyridine-3-carbohydrazide?
The InChIKey is UNOYFICMCDRZJG-OMLOBXIJSA-N. The full InChI is InChI=1S/C24H20N6O5/c31-24(20-9-5-12-25-17-20)28-27-16-19(14-18-6-2-1-3-7-18)8-4-13-26-22-11-10-21(29(32)33)15-23(22)30(34)35/h1-13,15-17,27H,14H2,(H,28,31)/b8-4-,19-16-,26-13+.
What are the key properties of N'-[(1E,3Z)-2-benzyl-5-(2,4-dinitrophenyl)iminopenta-1,3-dienyl]pyridine-3-carbohydrazide?
N'-[(1E,3Z)-2-benzyl-5-(2,4-dinitrophenyl)iminopenta-1,3-dienyl]pyridine-3-carbohydrazide has a molecular weight of 472.46 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E,3Z)-2-benzyl-5-(2,4-dinitrophenyl)iminopenta-1,3-dienyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 10073527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).