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8-Cyclohexyl-2-(3-imidazol-1-yl-propylamino)-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid amide

HCID 16049516
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=O)c1cn(C2CCCCC2)c2nc(NCCCn3ccnc3)ncc2c1=O
InChIKey
VCHGXKOWOYSZRB-UHFFFAOYSA-N
Molecular formula
C20H25N7O2
Average molar mass
395.5 g/mol

Names & identifiers

Preferred name
8-Cyclohexyl-2-(3-imidazol-1-yl-propylamino)-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid amide
IUPAC
8-cyclohexyl-2-(3-imidazol-1-ylpropylamino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

Names & synonyms

SCHEMBL3294012VCHGXKOWOYSZRB-UHFFFAOYSA-N8-cyclohexyl-2-(3-imidazol-1-yl-propylamino)-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid amide

Database identifiers

PubChem CID
16049516

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
119 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
29
Formal charge
0
Complexity
634

Related reactions

2 records
New reaction record
HRID 12353 reaction equation
HRID 12353As productuspto-grants-2010_06
HRID 167426 reaction equation
HRID 167426As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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