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

C24H23F3N6O2 — CID 44556113

IUPACN-[2-(dimethylamino)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2nc3cccc(-c4ccc(OC(F)(F)F)cc4)n3n2)cc1
InChIInChI=1S/C24H23F3N6O2/c1-32(2)15-14-28-22(34)17-6-10-18(11-7-17)29-23-30-21-5-3-4-20(33(21)31-23)16-8-12-19(13-9-16)35-24(25,26)27/h3-13H,14-15H2,1-2H3,(H,28,34)(H,29,31)
InChIKeyMDKNWDHNSJKMPB-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.33
Rot. Bonds8

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

N-[2-(dimethylamino)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 44556113) has the molecular formula C24H23F3N6O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID44556113
Molecular FormulaC24H23F3N6O2
Molecular Weight484.48 g/mol
Exact Mass484.18
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2nc3cccc(-c4ccc(OC(F)(F)F)cc4)n3n2)cc1
InChIInChI=1S/C24H23F3N6O2/c1-32(2)15-14-28-22(34)17-6-10-18(11-7-17)29-23-30-21-5-3-4-20(33(21)31-23)16-8-12-19(13-9-16)35-24(25,26)27/h3-13H,14-15H2,1-2H3,(H,28,34)(H,29,31)
InChIKeyMDKNWDHNSJKMPB-UHFFFAOYSA-N
XLogP4.33
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 71625545
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CID 71625548
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CID 71735440
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CID 71737355
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CID 1046563
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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 44556113) is N-[2-(dimethylamino)ethyl]-4-[[5-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is CN(C)CCNC(=O)c1ccc(Nc2nc3cccc(-c4ccc(OC(F)(F)F)cc4)n3n2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is MDKNWDHNSJKMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c1-32(2)15-14-28-22(34)17-6-10-18(11-7-17)29-23-30-21-5-3-4-20(33(21)31-23)16-8-12-19(13-9-16)35-24(25,26)27/h3-13H,14-15H2,1-2H3,(H,28,34)(H,29,31).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-[2-(dimethylamino)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 484.48 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 44556113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).