N'-[2-(4-propan-2-ylphenoxy)acetyl]pyrazine-2-carbohydrazide

C16H18N4O3 — CID 934383

IUPACN'-[2-(4-propan-2-ylphenoxy)acetyl]pyrazine-2-carbohydrazide
SMILESCC(C)c1ccc(OCC(=O)NNC(=O)c2cnccn2)cc1
InChIInChI=1S/C16H18N4O3/c1-11(2)12-3-5-13(6-4-12)23-10-15(21)19-20-16(22)14-9-17-7-8-18-14/h3-9,11H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQEZNYWJORFQKDY-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.44
Rot. Bonds5

About N'-[2-(4-propan-2-ylphenoxy)acetyl]pyrazine-2-carbohydrazide

N'-[2-(4-propan-2-ylphenoxy)acetyl]pyrazine-2-carbohydrazide (PubChem CID 934383) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N'-[2-(4-propan-2-ylphenoxy)acetyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-propan-2-ylphenoxy)acetyl]pyrazine-2-carbohydrazide
PubChem CID934383
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN'-[2-(4-propan-2-ylphenoxy)acetyl]pyrazine-2-carbohydrazide
SMILESCC(C)c1ccc(OCC(=O)NNC(=O)c2cnccn2)cc1
InChIInChI=1S/C16H18N4O3/c1-11(2)12-3-5-13(6-4-12)23-10-15(21)19-20-16(22)14-9-17-7-8-18-14/h3-9,11H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQEZNYWJORFQKDY-UHFFFAOYSA-N
XLogP1.44
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.44
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

Pyrazine-2-carboxylic acid [2-(2-p-tolyloxy-acetylamino)-ethyl]-amide
CID 6498568
N-(2-{[(3,4-dimethylphenoxy)acetyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498569
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-pyrazinecarbohydrazide
CID 7021979
2-(3-Methoxyphenoxy)-N'-(pyrazine-2-carbonyl)acetohydrazide
CID 750783
N'-(2-(naphthalen-2-yloxy)acetyl)pyrazine-2-carbohydrazide
CID 937949
N'-[2-(4-methoxyphenyl)acetyl]pyrazine-2-carbohydrazide
CID 947821
N'-[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]-2-pyrazinecarbohydrazide
CID 1224313
(E)-3-(4-methoxyphenyl)-N-[(pyrazine-2-carbonylamino)carbamothioyl]prop-2-enamide
CID 1874139
N''-[2-(2-bromo-4-ethyl-phenoxy)acetyl]pyrazinohydrazide
CID 2958821
Pyrazine-2-carboxylic acid [2-(2-m-tolyloxy-acetylamino)-ethyl]-amide
CID 6498567
N-(3-{[(3,4-dimethylphenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498595
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6861745

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-propan-2-ylphenoxy)acetyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[2-(4-propan-2-ylphenoxy)acetyl]pyrazine-2-carbohydrazide (CID 934383) is N'-[2-(4-propan-2-ylphenoxy)acetyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-propan-2-ylphenoxy)acetyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-propan-2-ylphenoxy)acetyl]pyrazine-2-carbohydrazide is CC(C)c1ccc(OCC(=O)NNC(=O)c2cnccn2)cc1.
What is the InChIKey of N'-[2-(4-propan-2-ylphenoxy)acetyl]pyrazine-2-carbohydrazide?
The InChIKey is QEZNYWJORFQKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11(2)12-3-5-13(6-4-12)23-10-15(21)19-20-16(22)14-9-17-7-8-18-14/h3-9,11H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-propan-2-ylphenoxy)acetyl]pyrazine-2-carbohydrazide?
N'-[2-(4-propan-2-ylphenoxy)acetyl]pyrazine-2-carbohydrazide has a molecular weight of 314.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-propan-2-ylphenoxy)acetyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 934383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).