N-(3-ethyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C24H22F3N3O2 — CID 10670813

IUPACN-(3-ethyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc(-c2cccnc2)c1
InChIInChI=1S/C24H22F3N3O2/c1-3-15-9-18(17-5-4-7-28-14-17)11-19(10-15)29-23(31)30-8-6-16-12-22(32-2)20(13-21(16)30)24(25,26)27/h4-5,7,9-14H,3,6,8H2,1-2H3,(H,29,31)
InChIKeyWHIABSZOSLXOTJ-UHFFFAOYSA-N
MW441.45 g/mol
LogP5.93
Rot. Bonds4

About N-(3-ethyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

N-(3-ethyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10670813) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-(3-ethyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID10670813
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC NameN-(3-ethyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc(-c2cccnc2)c1
InChIInChI=1S/C24H22F3N3O2/c1-3-15-9-18(17-5-4-7-28-14-17)11-19(10-15)29-23(31)30-8-6-16-12-22(32-2)20(13-21(16)30)24(25,26)27/h4-5,7,9-14H,3,6,8H2,1-2H3,(H,29,31)
InChIKeyWHIABSZOSLXOTJ-UHFFFAOYSA-N
XLogP5.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

SB 228357
CID 443390
5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid (4-methyl-3-pyridin-3-yl-phenyl)-amide
CID 10550405
1-[4-Methyl-3-(4-methyl-3-pyridyl)phenylcarbamoyl]-5-methoxy-6-trifluoromethylindoline
CID 10623020
N-(3-fluoro-4-methyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10623205
1-[3-(4-Methyl-3-pyridyl)phenylcarbamoyl]-5-methoxy-6-trifluoromethylindoline
CID 10646133
1-[5-(4-Methyl-3-pyridyl)-pyrid-3-ylcarbamoyl]-5-methoxy-6-trifluoromethylindoline
CID 10670191
1-[4-Methoxy-3-(pyrid-3-yl)phenylcarbamoyl]-5-methoxy-6-trifluoromethylindoline
CID 10718089
5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid [3,3'']bipyridinyl-5-ylamide
CID 10740494
5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid [3,4'']bipyridinyl-5-ylamide
CID 10764263
5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid [4-chloro-3-(4-methyl-pyridin-3-yl)-phenyl]-amide
CID 10766449
N-[6-(2-Methyl-3-pyridinyloxy)-3-pyridinyl]-5-methoxy-6-(trifluoromethyl)indoline-1-carboxamide
CID 10837002
1-[2,3-Dihydro-7-(pyrid-3-yl)benzofuran-5-ylcarbamoyl]-5-methoxy-6-trifluoromethyl Indoline
CID 10837468

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(3-ethyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 10670813) is N-(3-ethyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(3-ethyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(3-ethyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is CCc1cc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc(-c2cccnc2)c1.
What is the InChIKey of N-(3-ethyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is WHIABSZOSLXOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-3-15-9-18(17-5-4-7-28-14-17)11-19(10-15)29-23(31)30-8-6-16-12-22(32-2)20(13-21(16)30)24(25,26)27/h4-5,7,9-14H,3,6,8H2,1-2H3,(H,29,31).
What are the key properties of N-(3-ethyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
N-(3-ethyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10670813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).