6-Amino-2-furan-2-yl-4-(2-phenylamino-ethylamino)-nicotinonitrile

HCID 18507645
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Basic information

Standard SMILES
N#Cc1c(NCCNc2ccccc2)cc(N)nc1-c1ccco1
InChIKey
KIMRPBBWZJZXSV-UHFFFAOYSA-N
Molecular formula
C18H17N5O
Average molar mass
319.4 g/mol
Monoisotopic mass
319.14331018

Names & identifiers

Preferred name
6-Amino-2-furan-2-yl-4-(2-phenylamino-ethylamino)-nicotinonitrile
IUPAC
6-amino-4-(2-anilinoethylamino)-2-(furan-2-yl)pyridine-3-carbonitrile

Names & synonyms

SCHEMBL6441055KIMRPBBWZJZXSV-UHFFFAOYSA-N6-Amino-2-furan-2-yl-4-(2-phenylamino-ethylamino)-nicotinonitrile

Database identifiers

PubChem CID
18507645

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
99.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
24

Related reactions

2 records
New reaction record

Compound notes

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