N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide

C15H14ClN3O3 — CID 870404

IUPACN'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide
SMILESCc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C15H14ClN3O3/c1-10-7-12(16)4-5-13(10)22-9-14(20)18-19-15(21)11-3-2-6-17-8-11/h2-8H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyXOSGMKIRBSZCQC-UHFFFAOYSA-N
MW319.75 g/mol
LogP1.88
Rot. Bonds4

About N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide

N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide (PubChem CID 870404) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide
PubChem CID870404
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide
SMILESCc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C15H14ClN3O3/c1-10-7-12(16)4-5-13(10)22-9-14(20)18-19-15(21)11-3-2-6-17-8-11/h2-8H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyXOSGMKIRBSZCQC-UHFFFAOYSA-N
XLogP1.88
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 51.88
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

2-(4-Chlorophenoxy)nicotinamide
CID 2774902
Picafibrate
CID 68773
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 135533081
N'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 774755
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]nicotinohydrazide
CID 808281
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
{[(2-Methoxyphenyl)methyl](methyl)carbamoyl}methyl 6-chloropyridine-3-carboxylate
CID 9508008
N'-{2-[(2-chlorobenzyl)oxy]benzylidene}nicotinohydrazide
CID 9565034
2-(4-Chloro-2-methylphenoxy)-N'-[(E)-(pyridin-4-YL)methylidene]acetohydrazide
CID 9667098
2-(4-chloro-2-methylphenoxy)-N-(pyridin-4-yl)acetamide
CID 823402

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide (CID 870404) is N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide is Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cccnc1.
What is the InChIKey of N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide?
The InChIKey is XOSGMKIRBSZCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-10-7-12(16)4-5-13(10)22-9-14(20)18-19-15(21)11-3-2-6-17-8-11/h2-8H,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide?
N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide has a molecular weight of 319.75 g/mol, XLogP of 1.88, 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-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 870404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).