N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C24H23F3N6O — CID 59186416

IUPACN-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(C(F)(F)F)c4)n3n2)cc1
InChIInChI=1S/C24H23F3N6O/c1-32(2)14-13-28-22(34)16-9-11-19(12-10-16)29-23-30-21-8-4-7-20(33(21)31-23)17-5-3-6-18(15-17)24(25,26)27/h3-12,15H,13-14H2,1-2H3,(H,28,34)(H,29,31)
InChIKeyJEBKQLVEXOFBNO-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.45
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 59186416) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID59186416
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(C(F)(F)F)c4)n3n2)cc1
InChIInChI=1S/C24H23F3N6O/c1-32(2)14-13-28-22(34)16-9-11-19(12-10-16)29-23-30-21-8-4-7-20(33(21)31-23)17-5-3-6-18(15-17)24(25,26)27/h3-12,15H,13-14H2,1-2H3,(H,28,34)(H,29,31)
InChIKeyJEBKQLVEXOFBNO-UHFFFAOYSA-N
XLogP4.45
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 59186416) is N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is CN(C)CCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(C(F)(F)F)c4)n3n2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is JEBKQLVEXOFBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O/c1-32(2)14-13-28-22(34)16-9-11-19(12-10-16)29-23-30-21-8-4-7-20(33(21)31-23)17-5-3-6-18(15-17)24(25,26)27/h3-12,15H,13-14H2,1-2H3,(H,28,34)(H,29,31).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 468.48 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 59186416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).