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

C22H18F3N3O — CID 122653649

IUPAC1-[6-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CCN2c1cccc(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C22H18F3N3O/c23-22(24,25)15-5-1-4-14(12-15)13-16-6-2-9-20(27-16)28-11-10-17-18(21(26)29)7-3-8-19(17)28/h1-9,12H,10-11,13H2,(H2,26,29)
InChIKeyKFSXEQRHMMRKHR-UHFFFAOYSA-N
MW397.40 g/mol
LogP4.48
Rot. Bonds4

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

1-[6-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653649) has the molecular formula C22H18F3N3O and a molecular weight of 397.40 g/mol. Its IUPAC name is 1-[6-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[6-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653649
Molecular FormulaC22H18F3N3O
Molecular Weight397.40 g/mol
Exact Mass397.14
IUPAC Name1-[6-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CCN2c1cccc(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C22H18F3N3O/c23-22(24,25)15-5-1-4-14(12-15)13-16-6-2-9-20(27-16)28-11-10-17-18(21(26)29)7-3-8-19(17)28/h1-9,12H,10-11,13H2,(H2,26,29)
InChIKeyKFSXEQRHMMRKHR-UHFFFAOYSA-N
XLogP4.48
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[6-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (CID 122653649) is 1-[6-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[6-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[6-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is NC(=O)c1cccc2c1CCN2c1cccc(Cc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-[6-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is KFSXEQRHMMRKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O/c23-22(24,25)15-5-1-4-14(12-15)13-16-6-2-9-20(27-16)28-11-10-17-18(21(26)29)7-3-8-19(17)28/h1-9,12H,10-11,13H2,(H2,26,29).
What are the key properties of 1-[6-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
1-[6-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 397.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).