4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide

C12H11FN4O — CID 162519877

IUPAC4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccc(N)c(F)c2)cn1
InChIInChI=1S/C12H11FN4O/c1-7-5-16-11(6-15-7)17-12(18)8-2-3-10(14)9(13)4-8/h2-6H,14H2,1H3,(H,16,17,18)
InChIKeyFOEZGFRVLBXTJG-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.76
Rot. Bonds2

About 4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide

4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide (PubChem CID 162519877) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide
PubChem CID162519877
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccc(N)c(F)c2)cn1
InChIInChI=1S/C12H11FN4O/c1-7-5-16-11(6-15-7)17-12(18)8-2-3-10(14)9(13)4-8/h2-6H,14H2,1H3,(H,16,17,18)
InChIKeyFOEZGFRVLBXTJG-UHFFFAOYSA-N
XLogP1.76
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481834
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide
CID 79734700
4-amino-3-fluoro-N-(4-methylphenyl)benzamide
CID 55103260
4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide
CID 55103404
4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
CID 67997917
4-[(4-amino-3-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 63188517
4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 63188157
4-amino-N-(4-carbamoyl-2-methylphenyl)-3-fluorobenzamide
CID 63188246
N-(3-acetamidophenyl)-4-amino-3-fluorobenzamide
CID 62679268
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide (CID 162519877) is 4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide is Cc1cnc(NC(=O)c2ccc(N)c(F)c2)cn1.
What is the InChIKey of 4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide?
The InChIKey is FOEZGFRVLBXTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-7-5-16-11(6-15-7)17-12(18)8-2-3-10(14)9(13)4-8/h2-6H,14H2,1H3,(H,16,17,18).
What are the key properties of 4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide?
4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide has a molecular weight of 246.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide is sourced from PubChem (CID 162519877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).