N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide

C21H19N3O3 — CID 7536084

IUPACN'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide
SMILESO=C(COc1ccccc1Cc1ccccc1)NNC(=O)c1ccncc1
InChIInChI=1S/C21H19N3O3/c25-20(23-24-21(26)17-10-12-22-13-11-17)15-27-19-9-5-4-8-18(19)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,25)(H,24,26)
InChIKeyGROSMJLXGAYHLM-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.51
Rot. Bonds6

About N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide

N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide (PubChem CID 7536084) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide
PubChem CID7536084
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide
SMILESO=C(COc1ccccc1Cc1ccccc1)NNC(=O)c1ccncc1
InChIInChI=1S/C21H19N3O3/c25-20(23-24-21(26)17-10-12-22-13-11-17)15-27-19-9-5-4-8-18(19)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,25)(H,24,26)
InChIKeyGROSMJLXGAYHLM-UHFFFAOYSA-N
XLogP2.51
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
CID 17439720
2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 40585349
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
N'-[2-(2-benzylphenoxy)acetyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carbohydrazide
CID 25470974
N'-[2-(2-benzylphenoxy)acetyl]pentanehydrazide
CID 27225929
N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide
CID 34756829
N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
CID 27225851
N'-[2-(2-benzylphenoxy)acetyl]-2-(3-methylphenoxy)acetohydrazide
CID 7943215
1-[[2-(2-benzylphenoxy)acetyl]amino]-3-tert-butylthiourea
CID 9425577
5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide
CID 56520721
2-(2-benzylphenoxy)-N-methylsulfonylacetamide
CID 134106534
methyl 2-(2-benzylphenoxy)acetate
CID 43237517

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide (CID 7536084) is N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide is O=C(COc1ccccc1Cc1ccccc1)NNC(=O)c1ccncc1.
What is the InChIKey of N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide?
The InChIKey is GROSMJLXGAYHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-20(23-24-21(26)17-10-12-22-13-11-17)15-27-19-9-5-4-8-18(19)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide?
N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide has a molecular weight of 361.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 7536084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).