N-(5-(((3-(Dimethylamino)propyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-pyrrole-2-carboxamide
Basic information
- CAS
166982-61-2- Standard SMILES
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCCc3cc4cccc5ccc6cccc3c6c54)cn2C)cn1C- InChIKey
JSMNIDANDZSRBI-UHFFFAOYSA-N- Molecular formula
- C37H40N6O3
- Average molar mass
- 616.8 g/mol
- Monoisotopic mass
- 616.31618916
Names & identifiers
- Preferred name
- N-(5-(((3-(Dimethylamino)propyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-pyrrole-2-carboxamide
- IUPAC
- N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-(4-pyren-4-ylbutanoylamino)pyrrole-2-carboxamide
Names & synonyms
166982-61-2N-(5-(((3-(Dimethylamino)propyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-pyrrole-2-carboxamideDTXSID00168215N-[3-(Dimethylamino)propyl]-1-methyl-4-{1-methyl-4-[4-(pyren-4-yl)butanamido]-1H-pyrrole-2-carboxamido}-1H-pyrrole-2-carboxamide
Database identifiers
- CAS
166982-61-2- PubChem CID
- 3025902
- DTXSID
DTXSID00168215
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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