Basic information
- CAS
179557-42-7- Standard SMILES
COC(=O)c1cccnc1N(C)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1- InChIKey
VUIHMLIDUYCGNJ-UHFFFAOYSA-N- Molecular formula
- C23H27N5O5S
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.17329015
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 2-(methyl(1-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-4-piperidinyl)amino)-, methyl ester
- IUPAC
- methyl 2-[[1-[5-(methanesulfonamido)-1H-indole-2-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate
Names & synonyms
179557-42-73-Pyridinecarboxylic acid, 2-(methyl(1-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-4-piperidinyl)amino)-, methyl esterDTXSID001708333-Pyridinecarboxylic acid, 2-[methyl[1-[[5-[(methylsulfonyl)amino]-1H-indol-2-yl]carbonyl]-4-piperidinyl]amino]-, methyl esterRefChem:282265DTXCID2093324CHEMBL130177BDBM500816292-{[1-(5-Methanesulfonylamino-1H-indole-2-carbonyl)-piperidin-4-yl]-methyl-amino}-nicotinic acid methyl estermethyl 2-[[1-[5-(methanesulfonamido)-1H-indole-2-carbonyl]-4-piperidyl]-methyl-amino]pyridine-3-carboxylateMethyl 2-[{1-[5-(methanesulfonamido)-1H-indole-2-carbonyl]piperidin-4-yl}(methyl)amino]pyridine-3-carboxylate
Database identifiers
- CAS
179557-42-7- PubChem CID
- 484352
- DTXSID
DTXSID00170833- ChEMBL
CHEMBL130177- Nikkaji
- J1.205.320G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 841
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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