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

C14H13ClN4O3 — CID 751040

IUPACN'-[2-(4-chloro-2-methylphenoxy)acetyl]pyrazine-2-carbohydrazide
SMILESCc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cnccn1
InChIInChI=1S/C14H13ClN4O3/c1-9-6-10(15)2-3-12(9)22-8-13(20)18-19-14(21)11-7-16-4-5-17-11/h2-7H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyCBCDCNRBQNLIQI-UHFFFAOYSA-N
MW320.74 g/mol
LogP1.28
Rot. Bonds4

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

N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyrazine-2-carbohydrazide (PubChem CID 751040) has the molecular formula C14H13ClN4O3 and a molecular weight of 320.74 g/mol. Its IUPAC name is N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]pyrazine-2-carbohydrazide
PubChem CID751040
Molecular FormulaC14H13ClN4O3
Molecular Weight320.74 g/mol
Exact Mass320.07
IUPAC NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]pyrazine-2-carbohydrazide
SMILESCc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cnccn1
InChIInChI=1S/C14H13ClN4O3/c1-9-6-10(15)2-3-12(9)22-8-13(20)18-19-14(21)11-7-16-4-5-17-11/h2-7H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyCBCDCNRBQNLIQI-UHFFFAOYSA-N
XLogP1.28
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 51.28
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

N'-[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]-2-pyrazinecarbohydrazide
CID 934383
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-pyrazinecarbohydrazide
CID 7021979
N'-[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]-2-pyrazinecarbohydrazide
CID 1224313
N'-[2-(4-chloro-2-methylphenoxy)acetyl]nicotinohydrazide
CID 870404
N-(3-{[(4-chlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498597
N'-[3-(2-methoxyphenyl)-2-propenylidene]-2-pyrazinecarbohydrazide
CID 6861745
Pyrazine-2-carboxylic acid {2-[2-(4-chloro-phenoxy)-acetylamino]-ethyl}-amide
CID 6498571
N'-(2-(naphthalen-1-yloxy)acetyl)pyrazine-2-carbohydrazide
CID 921780
N-(2-(7-chloro-3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)ethyl)pyrazine-2-carboxamide
CID 91632336
N'-[2-(4-chlorophenoxy)acetyl]-2-pyrazinecarbohydrazide
CID 793936
N-{8-[2-(4-Chloro-2-methylphenoxy)acetyl]-8-azabicyclo[3.2.1]octan-3-YL}-5-methylpyrazine-2-carboxamide
CID 91912313
N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide
CID 4826934

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyrazine-2-carbohydrazide (CID 751040) is N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyrazine-2-carbohydrazide is Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cnccn1.
What is the InChIKey of N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyrazine-2-carbohydrazide?
The InChIKey is CBCDCNRBQNLIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3/c1-9-6-10(15)2-3-12(9)22-8-13(20)18-19-14(21)11-7-16-4-5-17-11/h2-7H,8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyrazine-2-carbohydrazide?
N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyrazine-2-carbohydrazide has a molecular weight of 320.74 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 751040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).