1-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide

C23H20F3N3O — CID 122653606

IUPAC1-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESCc1cc(Cc2cccc(C(F)(F)F)c2)cc(N2CCc3c(C(N)=O)cccc32)n1
InChIInChI=1S/C23H20F3N3O/c1-14-10-16(11-15-4-2-5-17(12-15)23(24,25)26)13-21(28-14)29-9-8-18-19(22(27)30)6-3-7-20(18)29/h2-7,10,12-13H,8-9,11H2,1H3,(H2,27,30)
InChIKeyHRJAZJUPIXWYMM-UHFFFAOYSA-N
MW411.43 g/mol
LogP4.79
Rot. Bonds4

About 1-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide

1-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653606) has the molecular formula C23H20F3N3O and a molecular weight of 411.43 g/mol. Its IUPAC name is 1-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653606
Molecular FormulaC23H20F3N3O
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name1-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESCc1cc(Cc2cccc(C(F)(F)F)c2)cc(N2CCc3c(C(N)=O)cccc32)n1
InChIInChI=1S/C23H20F3N3O/c1-14-10-16(11-15-4-2-5-17(12-15)23(24,25)26)13-21(28-14)29-9-8-18-19(22(27)30)6-3-7-20(18)29/h2-7,10,12-13H,8-9,11H2,1H3,(H2,27,30)
InChIKeyHRJAZJUPIXWYMM-UHFFFAOYSA-N
XLogP4.79
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (CID 122653606) is 1-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(N2CCc3c(C(N)=O)cccc32)n1.
What is the InChIKey of 1-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is HRJAZJUPIXWYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O/c1-14-10-16(11-15-4-2-5-17(12-15)23(24,25)26)13-21(28-14)29-9-8-18-19(22(27)30)6-3-7-20(18)29/h2-7,10,12-13H,8-9,11H2,1H3,(H2,27,30).
What are the key properties of 1-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
1-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).