2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide

C20H18FN7O — CID 70320043

IUPAC2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide
SMILES[H]/N=C(\N=N\N)c1ccc(C)c(-c2cnc(NC(=O)c3c(C)cccc3F)cn2)c1
InChIInChI=1S/C20H18FN7O/c1-11-6-7-13(19(22)27-28-23)8-14(11)16-9-25-17(10-24-16)26-20(29)18-12(2)4-3-5-15(18)21/h3-10H,1-2H3,(H3,22,23,27)(H,25,26,29)
InChIKeyLUHDYTGSGMAUPX-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.80
Rot. Bonds4

About 2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide

2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide (PubChem CID 70320043) has the molecular formula C20H18FN7O and a molecular weight of 391.41 g/mol. Its IUPAC name is 2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide
PubChem CID70320043
Molecular FormulaC20H18FN7O
Molecular Weight391.41 g/mol
Exact Mass391.16
IUPAC Name2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide
SMILES[H]/N=C(\N=N\N)c1ccc(C)c(-c2cnc(NC(=O)c3c(C)cccc3F)cn2)c1
InChIInChI=1S/C20H18FN7O/c1-11-6-7-13(19(22)27-28-23)8-14(11)16-9-25-17(10-24-16)26-20(29)18-12(2)4-3-5-15(18)21/h3-10H,1-2H3,(H3,22,23,27)(H,25,26,29)
InChIKeyLUHDYTGSGMAUPX-UHFFFAOYSA-N
XLogP3.80
TPSA129.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-6-methyl-N-[5-[2-methyl-5-(1-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]benzamide
CID 70323101
N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 123961804
ethyl 4-chloro-3-[5-[(2,6-difluorobenzoyl)amino]pyrazin-2-yl]benzoate
CID 11625878
ethenyl 3-[5-[(3,5-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidothioate
CID 70323306
2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide
CID 118473086
ethenyl 3-[5-[(3,5-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate
CID 70320031
methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate
CID 24775151
carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 161010800
N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 86764193
N-[5-(5-cyano-2-methylphenyl)pyrazin-2-yl]-3-fluoro-5-methylpyridine-4-carboxamide
CID 70320228
N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 67517427
N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 11589845

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide?
The IUPAC name of 2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide (CID 70320043) is 2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide is [H]/N=C(\N=N\N)c1ccc(C)c(-c2cnc(NC(=O)c3c(C)cccc3F)cn2)c1.
What is the InChIKey of 2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide?
The InChIKey is LUHDYTGSGMAUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O/c1-11-6-7-13(19(22)27-28-23)8-14(11)16-9-25-17(10-24-16)26-20(29)18-12(2)4-3-5-15(18)21/h3-10H,1-2H3,(H3,22,23,27)(H,25,26,29).
What are the key properties of 2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide?
2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide has a molecular weight of 391.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide is sourced from PubChem (CID 70320043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).