N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide

C21H19N3O3 — CID 35153545

IUPACN'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
SMILESCc1cccc(COc2cccc(C(=O)NNC(=O)c3cccnc3)c2)c1
InChIInChI=1S/C21H19N3O3/c1-15-5-2-6-16(11-15)14-27-19-9-3-7-17(12-19)20(25)23-24-21(26)18-8-4-10-22-13-18/h2-13H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyPPXCZKOZTLMXPF-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.04
Rot. Bonds5

About N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide

N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide (PubChem CID 35153545) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
PubChem CID35153545
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
SMILESCc1cccc(COc2cccc(C(=O)NNC(=O)c3cccnc3)c2)c1
InChIInChI=1S/C21H19N3O3/c1-15-5-2-6-16(11-15)14-27-19-9-3-7-17(12-19)20(25)23-24-21(26)18-8-4-10-22-13-18/h2-13H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyPPXCZKOZTLMXPF-UHFFFAOYSA-N
XLogP3.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.04
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'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347886
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide
CID 32743558
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119220727
3-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]benzamide
CID 33097042
2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119223350
N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119508535

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide (CID 35153545) is N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide is Cc1cccc(COc2cccc(C(=O)NNC(=O)c3cccnc3)c2)c1.
What is the InChIKey of N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide?
The InChIKey is PPXCZKOZTLMXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-15-5-2-6-16(11-15)14-27-19-9-3-7-17(12-19)20(25)23-24-21(26)18-8-4-10-22-13-18/h2-13H,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide?
N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide has a molecular weight of 361.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 35153545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).