U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H12FN5O4
Molecular Weight 357.296
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2N-(5-FLUORO-2-PYRIDINYL)-6-METHYL-4-((1,2,3,4-TETRAHYDRO-2,4-DIOXO-5-PYRIMIDINYL)OXY)PYRIDINECARBOXAMIDE

SMILES

CC1=CC(OC2=CNC(=O)NC2=O)=CC(=N1)C(=O)NC3=NC=C(F)C=C3

InChI

InChIKey=XWTSRBRPJRYQHN-UHFFFAOYSA-N
InChI=1S/C16H12FN5O4/c1-8-4-10(26-12-7-19-16(25)22-15(12)24)5-11(20-8)14(23)21-13-3-2-9(17)6-18-13/h2-7H,1H3,(H,18,21,23)(H2,19,22,24,25)

HIDE SMILES / InChI

Molecular Formula C16H12FN5O4
Molecular Weight 357.296
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:04:40 GMT 2023
Edited
by admin
on Sat Dec 16 16:04:40 GMT 2023
Record UNII
HIX0CB65UO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2N-(5-FLUORO-2-PYRIDINYL)-6-METHYL-4-((1,2,3,4-TETRAHYDRO-2,4-DIOXO-5-PYRIMIDINYL)OXY)PYRIDINECARBOXAMIDE
Systematic Name English
AUGLURANT METABOLITE M2
Common Name English
2-PYRIDINECARBOXAMIDE, N-(5-FLUORO-2-PYRIDINYL)-6-METHYL-4-((1,2,3,4-TETRAHYDRO-2,4-DIOXO-5-PYRIMIDINYL)OXY)-
Systematic Name English
Code System Code Type Description
CAS
2226884-33-7
Created by admin on Sat Dec 16 16:04:40 GMT 2023 , Edited by admin on Sat Dec 16 16:04:40 GMT 2023
PRIMARY
FDA UNII
HIX0CB65UO
Created by admin on Sat Dec 16 16:04:40 GMT 2023 , Edited by admin on Sat Dec 16 16:04:40 GMT 2023
PRIMARY
PUBCHEM
146675104
Created by admin on Sat Dec 16 16:04:40 GMT 2023 , Edited by admin on Sat Dec 16 16:04:40 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
M2 was not detected in extracts from incubations of VU238 with human and minipig S9 but was detected only in extracts from direct incubations with M1 (VU922).