N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide

C24H25N3O6 — CID 55576480

IUPACN'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccnc1
InChIInChI=1S/C24H25N3O6/c1-4-32-22-13-18(8-10-20(22)33-15-16-6-5-11-25-14-16)24(29)27-26-23(28)17-7-9-19(30-2)21(12-17)31-3/h5-14H,4,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyPGAIYPJUOKJEDE-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.15
Rot. Bonds9

About N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide

N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide (PubChem CID 55576480) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
PubChem CID55576480
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC NameN'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccnc1
InChIInChI=1S/C24H25N3O6/c1-4-32-22-13-18(8-10-20(22)33-15-16-6-5-11-25-14-16)24(29)27-26-23(28)17-7-9-19(30-2)21(12-17)31-3/h5-14H,4,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyPGAIYPJUOKJEDE-UHFFFAOYSA-N
XLogP3.15
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
N-(5-acetamido-2-methoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 39106187
ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate
CID 91682546
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46586870
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25345669
3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 43058759
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
3-ethoxy-N-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39111619

Frequently Asked Questions

What is the IUPAC name of N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide (CID 55576480) is N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide is CCOc1cc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccnc1.
What is the InChIKey of N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide?
The InChIKey is PGAIYPJUOKJEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-4-32-22-13-18(8-10-20(22)33-15-16-6-5-11-25-14-16)24(29)27-26-23(28)17-7-9-19(30-2)21(12-17)31-3/h5-14H,4,15H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide?
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide has a molecular weight of 451.48 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 55576480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).