1-((1R,2R)-2-((S)-1-(6-Methyl-5-nitropyridin-2-yl)piperidin-3-ylamino)cyclohexyl)-3-phenylurea

HCID 71227072
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Basic information

Standard SMILES
Cc1nc(N2CCC[C@H](N[C@@H]3CCCC[C@H]3NC(=O)Nc3ccccc3)C2)ccc1[N+](=O)[O-]
InChIKey
NECSDUUKVKGHLG-PWRODBHTSA-N
Molecular formula
C24H32N6O3
Average molar mass
452.5 g/mol

Names & identifiers

Preferred name
1-((1R,2R)-2-((S)-1-(6-Methyl-5-nitropyridin-2-yl)piperidin-3-ylamino)cyclohexyl)-3-phenylurea
IUPAC
1-[(1R,2R)-2-[[(3S)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]amino]cyclohexyl]-3-phenylurea

Names & synonyms

SCHEMBL14638071NECSDUUKVKGHLG-PWRODBHTSA-N1-((1R,2R)-2-((S)-1-(6-Methyl-5-nitropyridin-2-yl)piperidin-3-ylamino)cyclohexyl)-3-phenylurea

Database identifiers

PubChem CID
71227072

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
115 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
33

Related reactions

1 records
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Compound notes

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