N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide

C16H16ClN3O3 — CID 808281

IUPACN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)c2cccnc2)cc(C)c1Cl
InChIInChI=1S/C16H16ClN3O3/c1-10-6-13(7-11(2)15(10)17)23-9-14(21)19-20-16(22)12-4-3-5-18-8-12/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyLIRPGLLCPAHESI-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.19
Rot. Bonds4

About N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide

N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide (PubChem CID 808281) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide
PubChem CID808281
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC NameN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)c2cccnc2)cc(C)c1Cl
InChIInChI=1S/C16H16ClN3O3/c1-10-6-13(7-11(2)15(10)17)23-9-14(21)19-20-16(22)12-4-3-5-18-8-12/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyLIRPGLLCPAHESI-UHFFFAOYSA-N
XLogP2.19
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.19
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

Picafibrate
CID 68773
N'-[2-(3,5-dimethylphenoxy)acetyl]pyridine-2-carbohydrazide
CID 16330911
N'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 774755
N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide
CID 836901
N-(3-{[2-(2-chlorophenoxy)acetyl]amino}propyl)nicotinamide
CID 2992561
N-(3-{[(4-chlorophenoxy)acetyl]amino}propyl)-6-methylpyridine-3-carboxamide
CID 6498662
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-pyrazinecarbohydrazide
CID 7021979
N'-{2-[(2-chlorobenzyl)oxy]benzylidene}nicotinohydrazide
CID 9565034
2-(4-methoxyphenoxy)-N-(3-pyridylcarbonylamino)acetamide
CID 774449
N-{3-[2-(4-Chloro-phenoxy)-acetylamino]-propyl}-nicotinamide
CID 2988361
N-{3-[2-(4-Chloro-3-methyl-phenoxy)-acetylamino]-propyl}-6-methyl-nicotinamide
CID 6498673
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 6906273

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide (CID 808281) is N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide is Cc1cc(OCC(=O)NNC(=O)c2cccnc2)cc(C)c1Cl.
What is the InChIKey of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide?
The InChIKey is LIRPGLLCPAHESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-10-6-13(7-11(2)15(10)17)23-9-14(21)19-20-16(22)12-4-3-5-18-8-12/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide?
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide has a molecular weight of 333.78 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 808281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).