Basic information
- Standard SMILES
COc1ccccc1C(c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)N1CCCC1C(N)=O- InChIKey
CCNTZXMSIYEMCQ-UHFFFAOYSA-N- Molecular formula
- C29H30N4O5
- Average molar mass
- 514.6 g/mol
Names & identifiers
- Preferred name
- 1-((6-(1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)pyridin-3-yl)(2-methoxyphenyl)methyl)pyrrolidine-2-carboxamide
- IUPAC
- 1-[[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
Names & synonyms
SCHEMBL1083678CCNTZXMSIYEMCQ-UHFFFAOYSA-N1-((6-(1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)pyridin-3-yl)(2-methoxyphenyl)methyl)pyrrolidine-2-carboxamide
Database identifiers
- PubChem CID
- 57895149
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 868
Related reactions
4 records
Linked notes
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