2-amino-3-methyl-N-pyrazin-2-ylbenzamide

C12H12N4O — CID 43616017

IUPAC2-amino-3-methyl-N-pyrazin-2-ylbenzamide
SMILESCc1cccc(C(=O)Nc2cnccn2)c1N
InChIInChI=1S/C12H12N4O/c1-8-3-2-4-9(11(8)13)12(17)16-10-7-14-5-6-15-10/h2-7H,13H2,1H3,(H,15,16,17)
InChIKeyAHYKLAOLACVWPL-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.62
Rot. Bonds2

About 2-amino-3-methyl-N-pyrazin-2-ylbenzamide

2-amino-3-methyl-N-pyrazin-2-ylbenzamide (PubChem CID 43616017) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-amino-3-methyl-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-pyrazin-2-ylbenzamide
PubChem CID43616017
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name2-amino-3-methyl-N-pyrazin-2-ylbenzamide
SMILESCc1cccc(C(=O)Nc2cnccn2)c1N
InChIInChI=1S/C12H12N4O/c1-8-3-2-4-9(11(8)13)12(17)16-10-7-14-5-6-15-10/h2-7H,13H2,1H3,(H,15,16,17)
InChIKeyAHYKLAOLACVWPL-UHFFFAOYSA-N
XLogP1.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.62
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

2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114386754
2-bromo-N-pyrazin-2-ylbenzamide
CID 43409356
4-amino-6-methyl-N-pyrazin-2-ylpyridine-3-carboxamide
CID 81242289
3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide
CID 62661875
2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide
CID 104853695
2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616261
2-amino-4-methoxy-N-pyrazin-2-ylbenzamide
CID 113305136
3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide
CID 107872270
2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide
CID 86794505
4-amino-N-pyrazin-2-ylbenzamide
CID 43616023
2-amino-4-chloro-N-pyrazin-2-ylbenzamide
CID 43616024
2-amino-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 65468476

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-pyrazin-2-ylbenzamide?
The IUPAC name of 2-amino-3-methyl-N-pyrazin-2-ylbenzamide (CID 43616017) is 2-amino-3-methyl-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 2-amino-3-methyl-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 2-amino-3-methyl-N-pyrazin-2-ylbenzamide is Cc1cccc(C(=O)Nc2cnccn2)c1N.
What is the InChIKey of 2-amino-3-methyl-N-pyrazin-2-ylbenzamide?
The InChIKey is AHYKLAOLACVWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8-3-2-4-9(11(8)13)12(17)16-10-7-14-5-6-15-10/h2-7H,13H2,1H3,(H,15,16,17).
What are the key properties of 2-amino-3-methyl-N-pyrazin-2-ylbenzamide?
2-amino-3-methyl-N-pyrazin-2-ylbenzamide has a molecular weight of 228.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 43616017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).