2-amino-4-methoxy-N-pyrazin-2-ylbenzamide

C12H12N4O2 — CID 113305136

IUPAC2-amino-4-methoxy-N-pyrazin-2-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2cnccn2)c(N)c1
InChIInChI=1S/C12H12N4O2/c1-18-8-2-3-9(10(13)6-8)12(17)16-11-7-14-4-5-15-11/h2-7H,13H2,1H3,(H,15,16,17)
InChIKeyTWDKFGMJSOJOEX-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.32
Rot. Bonds3

About 2-amino-4-methoxy-N-pyrazin-2-ylbenzamide

2-amino-4-methoxy-N-pyrazin-2-ylbenzamide (PubChem CID 113305136) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-pyrazin-2-ylbenzamide
PubChem CID113305136
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-amino-4-methoxy-N-pyrazin-2-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2cnccn2)c(N)c1
InChIInChI=1S/C12H12N4O2/c1-18-8-2-3-9(10(13)6-8)12(17)16-11-7-14-4-5-15-11/h2-7H,13H2,1H3,(H,15,16,17)
InChIKeyTWDKFGMJSOJOEX-UHFFFAOYSA-N
XLogP1.32
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-4-methoxy-N-pyrazin-2-ylbenzamide 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-amino-4-chloro-N-pyrazin-2-ylbenzamide
CID 43616024
2-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107588666
4-amino-6-methyl-N-pyrazin-2-ylpyridine-3-carboxamide
CID 81242289
2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide
CID 113305163
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-5-methoxy-N-(5-trimethylsilyl-2-pyridinyl)benzamide
CID 89316590
2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114955995
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
2-amino-N-(2,5-dibromophenyl)-4-methoxybenzamide
CID 115412703
3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide
CID 107872270
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide
CID 115413411

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-pyrazin-2-ylbenzamide?
The IUPAC name of 2-amino-4-methoxy-N-pyrazin-2-ylbenzamide (CID 113305136) is 2-amino-4-methoxy-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 2-amino-4-methoxy-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 2-amino-4-methoxy-N-pyrazin-2-ylbenzamide is COc1ccc(C(=O)Nc2cnccn2)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-pyrazin-2-ylbenzamide?
The InChIKey is TWDKFGMJSOJOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-8-2-3-9(10(13)6-8)12(17)16-11-7-14-4-5-15-11/h2-7H,13H2,1H3,(H,15,16,17).
What are the key properties of 2-amino-4-methoxy-N-pyrazin-2-ylbenzamide?
2-amino-4-methoxy-N-pyrazin-2-ylbenzamide has a molecular weight of 244.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 113305136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).