Chemical identity

Sorafenib Related Compound 11

CAS 2004659-83-8 · C20H19N5O3

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-28352
PubChem CID154631482
NameSorafenib Related Compound 11
CAS RN2004659-83-8
Molecular formulaC20H19N5O3
Molecular weight377.40 g/mol
IUPAC nameN-methyl-4-(4-((2-(methylcarbamoyl)pyridin-4-yl)amino)phenoxy)picolinamide
InChIKeyKPCKULBSMTYWPY-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 154631482
Two-dimensional chemical structure of Sorafenib Related Compound 11, CAS 2004659-83-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count3
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESCNC(=O)C1=NC=CC(=C1)NC2=CC=C(C=C2)OC3=CC(=NC=C3)C(=O)NC
InChINot listed
Formula from structureC20H19N5O3
Molecular weight from structure377.40 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of Sorafenib Related Compound 11 with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Sorafenib Related Compound 11, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C20H18N6O4
Candidate SMILES
CNC(=O)c1cc(Oc2ccc(N(N=O)c3ccnc(C(=O)NC)c3)cc2)ccn1

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 2004659-83-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2004659-83-8 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Sorafenib

View API and impurity family

Other names

  • Unii-Q3WJ23B6JD
  • 2004659-83-8
  • Q3WJ23B6JD
  • N-Methyl-4-[4-[[2-[(methylamino)carbonyl]-4-pyridinyl]amino]phenoxy]-2-pyridinecarboxamide
  • N-Methyl-4-(4-((2-(methylcarbamoyl)pyridin-4-yl)amino)phenoxy)picolinamide
  • N-methyl-4-[4-[2-(methylcarbamoyl)pyridin-4-yl]oxyanilino]pyridine-2-carboxamide
  • 2-Pyridinecarboxamide, N-methyl-4-(4-((2-((methylamino)carbonyl)-4-pyridinyl)amino)phenoxy)-
  • Sorafenib Tosylate Impurity T
  • SCHEMBL28427186
  • CS-0164191
  • Z4151982270
  • N-methyl-4-(4-((2-(methylcarbamoyl)pyridin-4-yl)amino)phenoxy)picolinamide? (Sorafenib Impurity pound(c)

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources