5-N-[2-(dimethylamino)ethyl]-2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide

C18H19FN6O3 — CID 58816257

IUPAC5-N-[2-(dimethylamino)ethyl]-2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide
SMILESCN(C)CCNC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)o1
InChIInChI=1S/C18H19FN6O3/c1-24(2)8-7-21-17(26)15-5-6-16(28-15)18(27)23-12-3-4-14(13(19)9-12)25-11-20-10-22-25/h3-6,9-11H,7-8H2,1-2H3,(H,21,26)(H,23,27)
InChIKeyUHVGEWHAXTZGFS-UHFFFAOYSA-N
MW386.39 g/mol
LogP1.54
Rot. Bonds7

About 5-N-[2-(dimethylamino)ethyl]-2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide

5-N-[2-(dimethylamino)ethyl]-2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide (PubChem CID 58816257) has the molecular formula C18H19FN6O3 and a molecular weight of 386.39 g/mol. Its IUPAC name is 5-N-[2-(dimethylamino)ethyl]-2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-(dimethylamino)ethyl]-2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide
PubChem CID58816257
Molecular FormulaC18H19FN6O3
Molecular Weight386.39 g/mol
Exact Mass386.15
IUPAC Name5-N-[2-(dimethylamino)ethyl]-2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide
SMILESCN(C)CCNC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)o1
InChIInChI=1S/C18H19FN6O3/c1-24(2)8-7-21-17(26)15-5-6-16(28-15)18(27)23-12-3-4-14(13(19)9-12)25-11-20-10-22-25/h3-6,9-11H,7-8H2,1-2H3,(H,21,26)(H,23,27)
InChIKeyUHVGEWHAXTZGFS-UHFFFAOYSA-N
XLogP1.54
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(dimethylamino)ethyl]-2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide?
The IUPAC name of 5-N-[2-(dimethylamino)ethyl]-2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide (CID 58816257) is 5-N-[2-(dimethylamino)ethyl]-2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-(dimethylamino)ethyl]-2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide?
The canonical SMILES for 5-N-[2-(dimethylamino)ethyl]-2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide is CN(C)CCNC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)o1.
What is the InChIKey of 5-N-[2-(dimethylamino)ethyl]-2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide?
The InChIKey is UHVGEWHAXTZGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O3/c1-24(2)8-7-21-17(26)15-5-6-16(28-15)18(27)23-12-3-4-14(13(19)9-12)25-11-20-10-22-25/h3-6,9-11H,7-8H2,1-2H3,(H,21,26)(H,23,27).
What are the key properties of 5-N-[2-(dimethylamino)ethyl]-2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide?
5-N-[2-(dimethylamino)ethyl]-2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide has a molecular weight of 386.39 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(dimethylamino)ethyl]-2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide is sourced from PubChem (CID 58816257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).