N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide

C21H20N4O4 — CID 39270460

IUPACN'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2cccnc2)ccc1OCc1cccnc1
InChIInChI=1S/C21H20N4O4/c1-2-28-19-11-16(7-8-18(19)29-14-15-5-3-9-22-12-15)20(26)24-25-21(27)17-6-4-10-23-13-17/h3-13H,2,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyNGTMLEBBNJRBKT-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.53
Rot. Bonds7

About N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide

N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide (PubChem CID 39270460) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
PubChem CID39270460
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2cccnc2)ccc1OCc1cccnc1
InChIInChI=1S/C21H20N4O4/c1-2-28-19-11-16(7-8-18(19)29-14-15-5-3-9-22-12-15)20(26)24-25-21(27)17-6-4-10-23-13-17/h3-13H,2,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyNGTMLEBBNJRBKT-UHFFFAOYSA-N
XLogP2.53
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]-3,4-dimethoxybenzohydrazide
CID 55576480
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
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-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25345669
3-ethoxy-N-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39111619
(2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119363379
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 46587135
3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39676638

Frequently Asked Questions

What is the IUPAC name of N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide (CID 39270460) is N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide is CCOc1cc(C(=O)NNC(=O)c2cccnc2)ccc1OCc1cccnc1.
What is the InChIKey of N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide?
The InChIKey is NGTMLEBBNJRBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-2-28-19-11-16(7-8-18(19)29-14-15-5-3-9-22-12-15)20(26)24-25-21(27)17-6-4-10-23-13-17/h3-13H,2,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide?
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide has a molecular weight of 392.42 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 39270460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).