5-amino-N,7-dimethylisoquinoline-1-carboxamide

C12H13N3O — CID 82571826

IUPAC5-amino-N,7-dimethylisoquinoline-1-carboxamide
SMILESCNC(=O)c1nccc2c(N)cc(C)cc12
InChIInChI=1S/C12H13N3O/c1-7-5-9-8(10(13)6-7)3-4-15-11(9)12(16)14-2/h3-6H,13H2,1-2H3,(H,14,16)
InChIKeyCWWAVSAEESSEJJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.49
Rot. Bonds1

About 5-amino-N,7-dimethylisoquinoline-1-carboxamide

5-amino-N,7-dimethylisoquinoline-1-carboxamide (PubChem CID 82571826) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-amino-N,7-dimethylisoquinoline-1-carboxamide.

Molecular Properties

Compound Name5-amino-N,7-dimethylisoquinoline-1-carboxamide
PubChem CID82571826
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-amino-N,7-dimethylisoquinoline-1-carboxamide
SMILESCNC(=O)c1nccc2c(N)cc(C)cc12
InChIInChI=1S/C12H13N3O/c1-7-5-9-8(10(13)6-7)3-4-15-11(9)12(16)14-2/h3-6H,13H2,1-2H3,(H,14,16)
InChIKeyCWWAVSAEESSEJJ-UHFFFAOYSA-N
XLogP1.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide
CID 82571829
3,4-dimethoxy-N-methylpyridine-2-carboxamide
CID 156506686
8-amino-N-methylisoquinoline-1-carboxamide
CID 82571782
5-amino-7-fluoro-N-(3-hydroxypropyl)isoquinoline-1-carboxamide
CID 82571860
4-[(5-amino-7-methylisoquinolin-1-yl)amino]butanoic acid
CID 82570362
2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol
CID 82570326
5-bromo-7-methylisoquinoline-1-carboxylic acid
CID 82572033
N-hydroxy-7-methylisoquinoline-1-carboxamide
CID 82574344
3-hydroxy-N-methyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 137437152
3-amino-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741149
1-N-(3-aminopropyl)-7-methylisoquinoline-1,5-diamine
CID 82570383
5,6,7-trifluoro-N-hydroxyisoquinoline-1-carboxamide
CID 82574360

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,7-dimethylisoquinoline-1-carboxamide?
The IUPAC name of 5-amino-N,7-dimethylisoquinoline-1-carboxamide (CID 82571826) is 5-amino-N,7-dimethylisoquinoline-1-carboxamide.
What is the SMILES notation for 5-amino-N,7-dimethylisoquinoline-1-carboxamide?
The canonical SMILES for 5-amino-N,7-dimethylisoquinoline-1-carboxamide is CNC(=O)c1nccc2c(N)cc(C)cc12.
What is the InChIKey of 5-amino-N,7-dimethylisoquinoline-1-carboxamide?
The InChIKey is CWWAVSAEESSEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-5-9-8(10(13)6-7)3-4-15-11(9)12(16)14-2/h3-6H,13H2,1-2H3,(H,14,16).
What are the key properties of 5-amino-N,7-dimethylisoquinoline-1-carboxamide?
5-amino-N,7-dimethylisoquinoline-1-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,7-dimethylisoquinoline-1-carboxamide is sourced from PubChem (CID 82571826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).