Nicotinamide, N-((6-methyl-8-beta-ergolinyl)methyl)-
Basic information
- CAS
1877-98-1- Standard SMILES
CN1C[C@H](CNC(=O)c2cccnc2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21- InChIKey
GQOZNFZKAFZNAP-BOUXLOLZSA-N- Molecular formula
- C22H24N4O
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 360.1950114
Names & identifiers
- Preferred name
- Nicotinamide, N-((6-methyl-8-beta-ergolinyl)methyl)-
- IUPAC
- N-[[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]pyridine-3-carboxamide
Names & synonyms
BRN 0767346N-((6-Methyl-8-beta-ergolinyl)methyl)nicotinamide1877-98-1Nicotinamide, N-((6-methyl-8-beta-ergolinyl)methyl)-RefChem:365571DTXSID50940245N-[(6-Methylergolin-8-yl)methyl]pyridine-3-carboximidic acidN-[(6-Methylergolin-8beta-yl)methyl]pyridine-3-carboximidic acid
Database identifiers
- CAS
1877-98-1- PubChem CID
- 120940
- DTXSID
DTXSID50940245
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 554
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Compound notes
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