3-amino-N'-[2-(2-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide

C14H14FN5O3 — CID 46689729

IUPAC3-amino-N'-[2-(2-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)c1nccnc1N
InChIInChI=1S/C14H14FN5O3/c1-8(23-10-5-3-2-4-9(10)15)13(21)19-20-14(22)11-12(16)18-7-6-17-11/h2-8H,1H3,(H2,16,18)(H,19,21)(H,20,22)
InChIKeyHDKFFXXARWCGMQ-UHFFFAOYSA-N
MW319.30 g/mol
LogP0.43
Rot. Bonds4

About 3-amino-N'-[2-(2-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide

3-amino-N'-[2-(2-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide (PubChem CID 46689729) has the molecular formula C14H14FN5O3 and a molecular weight of 319.30 g/mol. Its IUPAC name is 3-amino-N'-[2-(2-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound Name3-amino-N'-[2-(2-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide
PubChem CID46689729
Molecular FormulaC14H14FN5O3
Molecular Weight319.30 g/mol
Exact Mass319.11
IUPAC Name3-amino-N'-[2-(2-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)c1nccnc1N
InChIInChI=1S/C14H14FN5O3/c1-8(23-10-5-3-2-4-9(10)15)13(21)19-20-14(22)11-12(16)18-7-6-17-11/h2-8H,1H3,(H2,16,18)(H,19,21)(H,20,22)
InChIKeyHDKFFXXARWCGMQ-UHFFFAOYSA-N
XLogP0.43
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenoxy)-N'-(2-pyrazinylcarbonyl)acetohydrazide
CID 750783
N'-[2-(2-methoxyphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 756597
3-amino-N'-[2-(2-benzylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 24235853
(3-Aminopyrazin-2-yl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 17516615
3-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide
CID 18157350
2-Amino-6-phenoxymethyl-3H-pteridin-4-one
CID 136035308
N'-[2-(4-chlorophenoxy)acetyl]-2-pyrazinecarbohydrazide
CID 793936
N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide
CID 4826934
4-{[6-(aminocarbonyl)pyrazin-2-yl]amino}-1,5-anhydro-2,4-dideoxy-3-O-(4-fluorophenyl)-D-erythro-pentitol
CID 91779488
N-(ethenylideneamino)-5-[3-(5-fluoro-2-methylphenoxy)azetidin-1-yl]pyrazine-2-carboxamide
CID 58367564
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide
CID 3318547
N'-[2-(4-fluorophenoxy)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418545

Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-[2-(2-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide?
The IUPAC name of 3-amino-N'-[2-(2-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide (CID 46689729) is 3-amino-N'-[2-(2-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for 3-amino-N'-[2-(2-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide?
The canonical SMILES for 3-amino-N'-[2-(2-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide is CC(Oc1ccccc1F)C(=O)NNC(=O)c1nccnc1N.
What is the InChIKey of 3-amino-N'-[2-(2-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide?
The InChIKey is HDKFFXXARWCGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O3/c1-8(23-10-5-3-2-4-9(10)15)13(21)19-20-14(22)11-12(16)18-7-6-17-11/h2-8H,1H3,(H2,16,18)(H,19,21)(H,20,22).
What are the key properties of 3-amino-N'-[2-(2-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide?
3-amino-N'-[2-(2-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide has a molecular weight of 319.30 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-[2-(2-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 46689729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).