N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide

C24H25N3O3 — CID 58858349

IUPACN'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide
SMILESCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-3-4-16-30-22-13-11-20(12-14-22)24(29)27-26-23(28)19-9-7-18(8-10-19)21-6-5-15-25-17-21/h5-15,17H,2-4,16H2,1H3,(H,26,28)(H,27,29)
InChIKeySZMJEBCYSPSAGL-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.39
Rot. Bonds8

About N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide

N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide (PubChem CID 58858349) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide
PubChem CID58858349
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide
SMILESCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-3-4-16-30-22-13-11-20(12-14-22)24(29)27-26-23(28)19-9-7-18(8-10-19)21-6-5-15-25-17-21/h5-15,17H,2-4,16H2,1H3,(H,26,28)(H,27,29)
InChIKeySZMJEBCYSPSAGL-UHFFFAOYSA-N
XLogP4.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide 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

3-(4-octoxyphenyl)pyridine
CID 90176946
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-heptoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide
CID 4951042
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4053542
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858311
N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide
CID 4935435
N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
CID 17112816
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289

Frequently Asked Questions

What is the IUPAC name of N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide?
The IUPAC name of N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide (CID 58858349) is N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide.
What is the SMILES notation for N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide?
The canonical SMILES for N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide is CCCCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3cccnc3)cc2)cc1.
What is the InChIKey of N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide?
The InChIKey is SZMJEBCYSPSAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-3-4-16-30-22-13-11-20(12-14-22)24(29)27-26-23(28)19-9-7-18(8-10-19)21-6-5-15-25-17-21/h5-15,17H,2-4,16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide?
N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide has a molecular weight of 403.48 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide is sourced from PubChem (CID 58858349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).