N-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide

C15H10FN7O — CID 166903288

IUPACN-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(NN=C(C#N)C#N)cc2F)cn1
InChIInChI=1S/C15H10FN7O/c1-9-7-20-14(8-19-9)15(24)21-13-3-2-10(4-12(13)16)22-23-11(5-17)6-18/h2-4,7-8,22H,1H3,(H,21,24)
InChIKeyADFPLVZXHUUCHR-UHFFFAOYSA-N
MW323.29 g/mol
LogP1.99
Rot. Bonds4

About N-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide

N-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide (PubChem CID 166903288) has the molecular formula C15H10FN7O and a molecular weight of 323.29 g/mol. Its IUPAC name is N-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide
PubChem CID166903288
Molecular FormulaC15H10FN7O
Molecular Weight323.29 g/mol
Exact Mass323.09
IUPAC NameN-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(NN=C(C#N)C#N)cc2F)cn1
InChIInChI=1S/C15H10FN7O/c1-9-7-20-14(8-19-9)15(24)21-13-3-2-10(4-12(13)16)22-23-11(5-17)6-18/h2-4,7-8,22H,1H3,(H,21,24)
InChIKeyADFPLVZXHUUCHR-UHFFFAOYSA-N
XLogP1.99
TPSA126.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337336
N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 113257804
1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea
CID 169341243
N-(4-acetamido-3-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 46421778
N-(4-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 2388228
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 65436071
N-(2-fluoro-4-methylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639628
N-(2,6-difluorophenyl)-5-methylpyrazine-2-carboxamide
CID 51158953
5-(methylamino)-N-(2,4,5-trifluorophenyl)pyridine-2-carboxamide
CID 104641160
4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide
CID 166903236
5-methyl-N-(6-methylquinolin-8-yl)pyrazine-2-carboxamide
CID 147349053
5-(3,4-dichloroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294492

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide (CID 166903288) is N-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(NN=C(C#N)C#N)cc2F)cn1.
What is the InChIKey of N-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is ADFPLVZXHUUCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN7O/c1-9-7-20-14(8-19-9)15(24)21-13-3-2-10(4-12(13)16)22-23-11(5-17)6-18/h2-4,7-8,22H,1H3,(H,21,24).
What are the key properties of N-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide?
N-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 323.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 166903288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).