2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide

C12H11N3O2 — CID 68607906

IUPAC2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide
SMILESCc1ccc(-c2cncc(=O)[nH]2)cc1C(N)=O
InChIInChI=1S/C12H11N3O2/c1-7-2-3-8(4-9(7)12(13)17)10-5-14-6-11(16)15-10/h2-6H,1H3,(H2,13,17)(H,15,16)
InChIKeyIKIHPFPHNFLGKV-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.84
Rot. Bonds2

About 2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide

2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide (PubChem CID 68607906) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide.

Molecular Properties

Compound Name2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide
PubChem CID68607906
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide
SMILESCc1ccc(-c2cncc(=O)[nH]2)cc1C(N)=O
InChIInChI=1S/C12H11N3O2/c1-7-2-3-8(4-9(7)12(13)17)10-5-14-6-11(16)15-10/h2-6H,1H3,(H2,13,17)(H,15,16)
InChIKeyIKIHPFPHNFLGKV-UHFFFAOYSA-N
XLogP0.84
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide 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

7-Methylisoquinolin-1(2H)-one
CID 15693876
3-Methyl-1,2-dihydroisoquinolin-1-one
CID 3244477
6-Methyl-3-phenyl-1(2h)-isoquinolinone
CID 10014302
6-methyl-3-(2-methylphenyl)-2H-isoquinolin-1-one
CID 44360722
2,6-dimethyl-N-(4-(2-oxo-1,2-dihydropyridin-4-yl)benzyl)benzamide
CID 71150049
3-(4-((Dimethylamino)methyl)phenyl)-5-methylisoquinolin-1(2h)-one
CID 71736278
3-(aminomethyl)-7-phenyl-2H-isoquinolin-1-one
CID 134330655
3-(aminomethyl)-7-ethynyl-2H-isoquinolin-1-one
CID 134330682
6-methyl-3-(4-methylphenyl)-2H-isoquinolin-1-one
CID 44360720
N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2,4-bis(propan-2-yl)benzamide
CID 41507157
6-Methylisoquinolin-1(2H)-one
CID 15451673
1-(2,4-Dimethylbenzoyl)-N-ethyl-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 53015386

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide?
The IUPAC name of 2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide (CID 68607906) is 2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide.
What is the SMILES notation for 2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide?
The canonical SMILES for 2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide is Cc1ccc(-c2cncc(=O)[nH]2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide?
The InChIKey is IKIHPFPHNFLGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-7-2-3-8(4-9(7)12(13)17)10-5-14-6-11(16)15-10/h2-6H,1H3,(H2,13,17)(H,15,16).
What are the key properties of 2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide?
2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide has a molecular weight of 229.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide is sourced from PubChem (CID 68607906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).