N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide

C44H36Cl2N8O3 — CID 176939309

IUPACN-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccn3ncnc3c2)cc1)Nc1ccc(Cl)c(Cl)c1.O=C(Cc1ccc(-c2ccn3ncnc3c2)cc1)Nc1ccc2c(c1)C(O)CCC2
InChIInChI=1S/C24H22N4O2.C20H14Cl2N4O/c29-22-3-1-2-18-8-9-20(14-21(18)22)27-24(30)12-16-4-6-17(7-5-16)19-10-11-28-23(13-19)25-15-26-28;21-17-6-5-16(11-18(17)22)25-20(27)9-13-1-3-14(4-2-13)15-7-8-26-19(10-15)23-12-24-26/h4-11,13-15,22,29H,1-3,12H2,(H,27,30);1-8,10-12H,9H2,(H,25,27)
InChIKeyPJKQNPRKJQDREL-UHFFFAOYSA-N
MW795.73 g/mol
LogP8.83
Rot. Bonds8

About N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide

N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide (PubChem CID 176939309) has the molecular formula C44H36Cl2N8O3 and a molecular weight of 795.73 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
PubChem CID176939309
Molecular FormulaC44H36Cl2N8O3
Molecular Weight795.73 g/mol
Exact Mass794.23
IUPAC NameN-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccn3ncnc3c2)cc1)Nc1ccc(Cl)c(Cl)c1.O=C(Cc1ccc(-c2ccn3ncnc3c2)cc1)Nc1ccc2c(c1)C(O)CCC2
InChIInChI=1S/C24H22N4O2.C20H14Cl2N4O/c29-22-3-1-2-18-8-9-20(14-21(18)22)27-24(30)12-16-4-6-17(7-5-16)19-10-11-28-23(13-19)25-15-26-28;21-17-6-5-16(11-18(17)22)25-20(27)9-13-1-3-14(4-2-13)15-7-8-26-19(10-15)23-12-24-26/h4-11,13-15,22,29H,1-3,12H2,(H,27,30);1-8,10-12H,9H2,(H,25,27)
InChIKeyPJKQNPRKJQDREL-UHFFFAOYSA-N
XLogP8.83
TPSA138.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.73
LogP ≤ 58.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide with MolForge

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Related Compounds

N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939050
N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939269
N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939094
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939083
N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939143
N-(4-tert-butylphenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939227
N-(3,4-dichlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18270009
propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate
CID 176939177
N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939067
N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020559
2-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2634509
7-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 89110450

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide (CID 176939309) is N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide is O=C(Cc1ccc(-c2ccn3ncnc3c2)cc1)Nc1ccc(Cl)c(Cl)c1.O=C(Cc1ccc(-c2ccn3ncnc3c2)cc1)Nc1ccc2c(c1)C(O)CCC2.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The InChIKey is PJKQNPRKJQDREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2.C20H14Cl2N4O/c29-22-3-1-2-18-8-9-20(14-21(18)22)27-24(30)12-16-4-6-17(7-5-16)19-10-11-28-23(13-19)25-15-26-28;21-17-6-5-16(11-18(17)22)25-20(27)9-13-1-3-14(4-2-13)15-7-8-26-19(10-15)23-12-24-26/h4-11,13-15,22,29H,1-3,12H2,(H,27,30);1-8,10-12H,9H2,(H,25,27).
What are the key properties of N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide has a molecular weight of 795.73 g/mol, XLogP of 8.83, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide is sourced from PubChem (CID 176939309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).