N'-[2-(4-fluorophenoxy)acetyl]-5-methylpyrazine-2-carbohydrazide

C14H13FN4O3 — CID 22830725

IUPACN'-[2-(4-fluorophenoxy)acetyl]-5-methylpyrazine-2-carbohydrazide
SMILESCc1cnc(C(=O)NNC(=O)COc2ccc(F)cc2)cn1
InChIInChI=1S/C14H13FN4O3/c1-9-6-17-12(7-16-9)14(21)19-18-13(20)8-22-11-4-2-10(15)3-5-11/h2-7H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyNLGAUXADDVUUKS-UHFFFAOYSA-N
MW304.28 g/mol
LogP0.76
Rot. Bonds4

About N'-[2-(4-fluorophenoxy)acetyl]-5-methylpyrazine-2-carbohydrazide

N'-[2-(4-fluorophenoxy)acetyl]-5-methylpyrazine-2-carbohydrazide (PubChem CID 22830725) has the molecular formula C14H13FN4O3 and a molecular weight of 304.28 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)acetyl]-5-methylpyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)acetyl]-5-methylpyrazine-2-carbohydrazide
PubChem CID22830725
Molecular FormulaC14H13FN4O3
Molecular Weight304.28 g/mol
Exact Mass304.10
IUPAC NameN'-[2-(4-fluorophenoxy)acetyl]-5-methylpyrazine-2-carbohydrazide
SMILESCc1cnc(C(=O)NNC(=O)COc2ccc(F)cc2)cn1
InChIInChI=1S/C14H13FN4O3/c1-9-6-17-12(7-16-9)14(21)19-18-13(20)8-22-11-4-2-10(15)3-5-11/h2-7H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyNLGAUXADDVUUKS-UHFFFAOYSA-N
XLogP0.76
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 50.76
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-fluorophenoxy)acetyl]-5-methylpyrazine-2-carbohydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)acetyl]-5-methylpyrazine-2-carbohydrazide (CID 22830725) is N'-[2-(4-fluorophenoxy)acetyl]-5-methylpyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)acetyl]-5-methylpyrazine-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)acetyl]-5-methylpyrazine-2-carbohydrazide is Cc1cnc(C(=O)NNC(=O)COc2ccc(F)cc2)cn1.
What is the InChIKey of N'-[2-(4-fluorophenoxy)acetyl]-5-methylpyrazine-2-carbohydrazide?
The InChIKey is NLGAUXADDVUUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O3/c1-9-6-17-12(7-16-9)14(21)19-18-13(20)8-22-11-4-2-10(15)3-5-11/h2-7H,8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-fluorophenoxy)acetyl]-5-methylpyrazine-2-carbohydrazide?
N'-[2-(4-fluorophenoxy)acetyl]-5-methylpyrazine-2-carbohydrazide has a molecular weight of 304.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)acetyl]-5-methylpyrazine-2-carbohydrazide is sourced from PubChem (CID 22830725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).