5-methoxy-N-(4-methyl-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C23H20F3N3O2 — CID 10550405

IUPAC5-methoxy-N-(4-methyl-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cccnc3)c1)CC2
InChIInChI=1S/C23H20F3N3O2/c1-14-5-6-17(11-18(14)16-4-3-8-27-13-16)28-22(30)29-9-7-15-10-21(31-2)19(12-20(15)29)23(24,25)26/h3-6,8,10-13H,7,9H2,1-2H3,(H,28,30)
InChIKeyPZNJOBNPOKNKKD-UHFFFAOYSA-N
MW427.43 g/mol
LogP5.68
Rot. Bonds3

About 5-methoxy-N-(4-methyl-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

5-methoxy-N-(4-methyl-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10550405) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 5-methoxy-N-(4-methyl-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(4-methyl-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID10550405
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name5-methoxy-N-(4-methyl-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cccnc3)c1)CC2
InChIInChI=1S/C23H20F3N3O2/c1-14-5-6-17(11-18(14)16-4-3-8-27-13-16)28-22(30)29-9-7-15-10-21(31-2)19(12-20(15)29)23(24,25)26/h3-6,8,10-13H,7,9H2,1-2H3,(H,28,30)
InChIKeyPZNJOBNPOKNKKD-UHFFFAOYSA-N
XLogP5.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.43
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(4-methyl-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-methoxy-N-(4-methyl-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 10550405) is 5-methoxy-N-(4-methyl-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-(4-methyl-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-methoxy-N-(4-methyl-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cccnc3)c1)CC2.
What is the InChIKey of 5-methoxy-N-(4-methyl-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is PZNJOBNPOKNKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c1-14-5-6-17(11-18(14)16-4-3-8-27-13-16)28-22(30)29-9-7-15-10-21(31-2)19(12-20(15)29)23(24,25)26/h3-6,8,10-13H,7,9H2,1-2H3,(H,28,30).
What are the key properties of 5-methoxy-N-(4-methyl-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-methoxy-N-(4-methyl-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(4-methyl-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10550405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).