5-Methyl-pyridine-2-sulfonic acid [2-(2-cyano-pyridin-4-yl)-6-methoxy-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide

HCID 9935894

Basic information

Standard SMILES
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(C#N)c2)nc1OC
InChIKey
TZGPRVZHYJHRJM-UHFFFAOYSA-N
Molecular formula
C24H20N6O5S
Average molar mass
504.5 g/mol
Monoisotopic mass
504.12158893

Names & identifiers

Preferred name
5-Methyl-pyridine-2-sulfonic acid [2-(2-cyano-pyridin-4-yl)-6-methoxy-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide
IUPAC
N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide

Names & synonyms

SCHEMBL5036498TZGPRVZHYJHRJM-UHFFFAOYSA-NL0198915-methyl-pyridine-2-sulfonic acid [2-(2-cyano-pyridin-4-yl)-6-methoxy-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide

Database identifiers

PubChem CID
9935894

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
158 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
8
Heavy atoms
36

Related reactions

5 records

Linked notes

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