4-Dimethylamino-but-2-enoic acid [5-(3-bromo-phenylamino)-6-cyano-[1,8]naphthyridin-3-yl]-amide

HCID 69849692
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Basic information

Standard SMILES
CN(C)CC=CC(=O)Nc1cnc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
InChIKey
JCGLOUUPTKEXIO-UHFFFAOYSA-N
Molecular formula
C21H19BrN6O
Average molar mass
451.3 g/mol
Monoisotopic mass
450.08037

Names & identifiers

Preferred name
4-Dimethylamino-but-2-enoic acid [5-(3-bromo-phenylamino)-6-cyano-[1,8]naphthyridin-3-yl]-amide
IUPAC
N-[5-(3-bromoanilino)-6-cyano-1,8-naphthyridin-3-yl]-4-(dimethylamino)but-2-enamide

Names & synonyms

SCHEMBL6643363JCGLOUUPTKEXIO-UHFFFAOYSA-N4-Dimethylamino-but-2-enoic acid [5-(3-bromo-phenylamino)-6-cyano-[1,8]naphthyridin-3-yl]-amide4-Dimethylamino-but-2-enoic acid [5-(3-bromo-phenylamino)-6-cyano-[1.8]naphthyridin-3-yl]-amide

Database identifiers

PubChem CID
69849692

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
93.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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