5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide

C16H16BrN3O4 — CID 18159243

IUPAC5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1cncc(Br)c1
InChIInChI=1S/C16H16BrN3O4/c1-2-23-13-5-3-4-6-14(13)24-10-15(21)19-20-16(22)11-7-12(17)9-18-8-11/h3-9H,2,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyURUMTMXNXSHJMG-UHFFFAOYSA-N
MW394.23 g/mol
LogP2.08
Rot. Bonds6

About 5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide

5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide (PubChem CID 18159243) has the molecular formula C16H16BrN3O4 and a molecular weight of 394.23 g/mol. Its IUPAC name is 5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
PubChem CID18159243
Molecular FormulaC16H16BrN3O4
Molecular Weight394.23 g/mol
Exact Mass393.03
IUPAC Name5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1cncc(Br)c1
InChIInChI=1S/C16H16BrN3O4/c1-2-23-13-5-3-4-6-14(13)24-10-15(21)19-20-16(22)11-7-12(17)9-18-8-11/h3-9H,2,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyURUMTMXNXSHJMG-UHFFFAOYSA-N
XLogP2.08
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 2091621
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
6-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 18287311
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dimethylbenzohydrazide
CID 2102668
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
CID 55358632
[2-(2-ethoxyanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2616323
N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
CID 7601114
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 7719967
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844494
5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 61061483
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 18159247

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide?
The IUPAC name of 5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide (CID 18159243) is 5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for 5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide?
The InChIKey is URUMTMXNXSHJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O4/c1-2-23-13-5-3-4-6-14(13)24-10-15(21)19-20-16(22)11-7-12(17)9-18-8-11/h3-9H,2,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide?
5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide has a molecular weight of 394.23 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 18159243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).