Benzyl 9-(5-{[(2-aminophenyl)amino]carbonyl}pyridin-2-yl)-3,9-diazaspiro[5.5]-undecane-3-carboxylate

HCID 57717481
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Basic information

Standard SMILES
Nc1ccccc1NC(=O)c1ccc(N2CCC3(CCN(C(=O)OCc4ccccc4)CC3)CC2)nc1
InChIKey
JGYLFRSEAKKTLT-UHFFFAOYSA-N
Molecular formula
C29H33N5O3
Average molar mass
499.6 g/mol
Monoisotopic mass
499.25833993

Names & identifiers

Preferred name
Benzyl 9-(5-{[(2-aminophenyl)amino]carbonyl}pyridin-2-yl)-3,9-diazaspiro[5.5]-undecane-3-carboxylate
IUPAC
benzyl 9-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate

Names & synonyms

SCHEMBL1640773JGYLFRSEAKKTLT-UHFFFAOYSA-NBenzyl 9-(5-{[(2-aminophenyl)amino]carbonyl}pyridin-2-yl)-3,9-diazaspiro[5.5]-undecane-3-carboxylate

Database identifiers

PubChem CID
57717481

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
37

Related reactions

4 records
New reaction record

Linked notes

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