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

C24H23F3N6O2 — CID 44555513

IUPACN-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1
InChIInChI=1S/C24H23F3N6O2/c1-32(2)14-13-28-22(34)16-9-11-18(12-10-16)29-23-30-21-8-4-7-20(33(21)31-23)17-5-3-6-19(15-17)35-24(25,26)27/h3-12,15H,13-14H2,1-2H3,(H,28,34)(H,29,31)
InChIKeyKKNATNIOLMSTGU-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.33
Rot. Bonds8

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

N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 44555513) has the molecular formula C24H23F3N6O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID44555513
Molecular FormulaC24H23F3N6O2
Molecular Weight484.48 g/mol
Exact Mass484.18
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1
InChIInChI=1S/C24H23F3N6O2/c1-32(2)14-13-28-22(34)16-9-11-18(12-10-16)29-23-30-21-8-4-7-20(33(21)31-23)17-5-3-6-19(15-17)35-24(25,26)27/h3-12,15H,13-14H2,1-2H3,(H,28,34)(H,29,31)
InChIKeyKKNATNIOLMSTGU-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

US9555022, Example 02.09
CID 54768802
US9555022, Example 02.44
CID 54770807
US9555022, Example 02.01
CID 54771711
[4-[[7-(2-Methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 56951311
5-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186487
US9663510, Example 01.07
CID 71577161
2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide
CID 127048799
6-methoxy-4-(methylaminomethyl)-2-[6-[4-[(3S)-1,1,1-trifluoropentan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one
CID 166634204
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2512205
N-[2-(3,4-Dimethoxyphenyl)ethyl]-4-({[1,2,3,4]tetrazolo[1,5-A]quinoxalin-4-YL}amino)benzamide
CID 15989989
N-[(2-Methoxyphenyl)methyl]-4-({[1,2,3,4]tetrazolo[1,5-A]quinoxalin-4-YL}amino)benzamide
CID 15990023
N-(4-(4-amino-1-(1-methylpiperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-2-fluoro-4-(trifluoromethyl)benzamide
CID 20817416

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 44555513) is N-[2-(dimethylamino)ethyl]-4-[[5-[3-(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-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is CN(C)CCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is KKNATNIOLMSTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c1-32(2)14-13-28-22(34)16-9-11-18(12-10-16)29-23-30-21-8-4-7-20(33(21)31-23)17-5-3-6-19(15-17)35-24(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-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-[2-(dimethylamino)ethyl]-4-[[5-[3-(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-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 44555513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).