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

C14H14N4O3 — CID 947821

IUPACN'-[2-(4-methoxyphenyl)acetyl]pyrazine-2-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cnccn2)cc1
InChIInChI=1S/C14H14N4O3/c1-21-11-4-2-10(3-5-11)8-13(19)17-18-14(20)12-9-15-6-7-16-12/h2-7,9H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyUEABDZQLALJTGR-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.49
Rot. Bonds4

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

N'-[2-(4-methoxyphenyl)acetyl]pyrazine-2-carbohydrazide (PubChem CID 947821) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)acetyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)acetyl]pyrazine-2-carbohydrazide
PubChem CID947821
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN'-[2-(4-methoxyphenyl)acetyl]pyrazine-2-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cnccn2)cc1
InChIInChI=1S/C14H14N4O3/c1-21-11-4-2-10(3-5-11)8-13(19)17-18-14(20)12-9-15-6-7-16-12/h2-7,9H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyUEABDZQLALJTGR-UHFFFAOYSA-N
XLogP0.49
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.49
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)acetyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[2-(4-methoxyphenyl)acetyl]pyrazine-2-carbohydrazide (CID 947821) is N'-[2-(4-methoxyphenyl)acetyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)acetyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-methoxyphenyl)acetyl]pyrazine-2-carbohydrazide is COc1ccc(CC(=O)NNC(=O)c2cnccn2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)acetyl]pyrazine-2-carbohydrazide?
The InChIKey is UEABDZQLALJTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-21-11-4-2-10(3-5-11)8-13(19)17-18-14(20)12-9-15-6-7-16-12/h2-7,9H,8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(4-methoxyphenyl)acetyl]pyrazine-2-carbohydrazide?
N'-[2-(4-methoxyphenyl)acetyl]pyrazine-2-carbohydrazide has a molecular weight of 286.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)acetyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 947821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).