Chemical identity

(S,E)-N-(1-((3-Methylbut-1-en-1-yl)amino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide

CAS 862895-00-9 · C19H22N4O2

01Identity

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

Lazychem IDLC-08471
PubChem CID163197279
Name(S,E)-N-(1-((3-Methylbut-1-en-1-yl)amino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide
CAS RN862895-00-9
Molecular formulaC19H22N4O2
Molecular weight338.41 g/mol
IUPAC name(S,E)-N-(1-((3-methylbut-1-en-1-yl)amino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide
InChIKeyISSYHCZWYPLNBR-FDMDGMSGSA-N

02Structure identifiers

2D structurePubChem CID 163197279
Two-dimensional chemical structure of (S,E)-N-(1-((3-Methylbut-1-en-1-yl)amino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide, CAS 862895-00-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)/C=C/NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2
InChINot listed
Formula from structureC19H22N4O2
Molecular weight from structure338.41 g/mol

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

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 862895-00-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 862895-00-9 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

Bortezomib

View API and impurity family

Other names

  • Bortezomib Impurity 11
  • Bortezomib Impurity 34
  • 862895-00-9
  • (S,E)-N-(1-((3-Methylbut-1-en-1-yl)amino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide
  • Bortezomib Impurity K
  • DTXSID701116556
  • IM159972
  • CS-0163882
  • (S,E)-N-(1-(3-Methylbut-1-enylamino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide
  • N-[(1E)-3-Methylbut-1-en-1-yl]-Nalpha-(pyrazine-2-carbonyl)-L-phenylalaninamide
  • (S,E)-N-(1-((3-methylbut-1-en-1-yl)amino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide? (Bortezomib Impurity pound(c)
  • N-[(1S)-2-[[(1E)-3-Methyl-1-buten-1-yl]amino]-2-oxo-1-(phenylmethyl)ethyl]-2-pyrazinecarboxamide

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