3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide

C15H20N4O2 — CID 82992411

IUPAC3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide
SMILESCNC(=O)c1ccc(N2CCN3C(=O)CCC3C2)c(N)c1
InChIInChI=1S/C15H20N4O2/c1-17-15(21)10-2-4-13(12(16)8-10)18-6-7-19-11(9-18)3-5-14(19)20/h2,4,8,11H,3,5-7,9,16H2,1H3,(H,17,21)
InChIKeyRFBXUJUFWMUWSC-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.44
Rot. Bonds2

About 3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide

3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide (PubChem CID 82992411) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide
PubChem CID82992411
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide
SMILESCNC(=O)c1ccc(N2CCN3C(=O)CCC3C2)c(N)c1
InChIInChI=1S/C15H20N4O2/c1-17-15(21)10-2-4-13(12(16)8-10)18-6-7-19-11(9-18)3-5-14(19)20/h2,4,8,11H,3,5-7,9,16H2,1H3,(H,17,21)
InChIKeyRFBXUJUFWMUWSC-UHFFFAOYSA-N
XLogP0.44
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide?
The IUPAC name of 3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide (CID 82992411) is 3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide?
The canonical SMILES for 3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide is CNC(=O)c1ccc(N2CCN3C(=O)CCC3C2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide?
The InChIKey is RFBXUJUFWMUWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-17-15(21)10-2-4-13(12(16)8-10)18-6-7-19-11(9-18)3-5-14(19)20/h2,4,8,11H,3,5-7,9,16H2,1H3,(H,17,21).
What are the key properties of 3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide?
3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide has a molecular weight of 288.35 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide is sourced from PubChem (CID 82992411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).