Methyl 2-benzylamino-6-(cis-2-(tert-butoxycarbonylamino)cyclohexylamino)nicotinate

HCID 86683850
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Basic information

Standard SMILES
COC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)nc1NCc1ccccc1
InChIKey
BBXXOLTZMYWFDQ-UXHICEINSA-N
Molecular formula
C25H34N4O4
Average molar mass
454.6 g/mol
Monoisotopic mass
454.25800558

Names & identifiers

Preferred name
Methyl 2-benzylamino-6-(cis-2-(tert-butoxycarbonylamino)cyclohexylamino)nicotinate
IUPAC
methyl 2-(benzylamino)-6-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyridine-3-carboxylate

Names & synonyms

SCHEMBL14909671BBXXOLTZMYWFDQ-UXHICEINSA-Nmethyl 2-benzylamino-6-(cis-2-(tert-butoxycarbonylamino)cyclohexylamino)nicotinate

Database identifiers

PubChem CID
86683850

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
102 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
33

Related reactions

3 records
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Linked notes

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