6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide

C22H16F3N3O — CID 118414383

IUPAC6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)n1
InChIInChI=1S/C22H16F3N3O/c23-22(24,25)17-7-4-14(5-8-17)13-28-11-10-16-12-15(6-9-20(16)28)18-2-1-3-19(27-18)21(26)29/h1-12H,13H2,(H2,26,29)
InChIKeyWQJPIUJPAPHJCK-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.87
Rot. Bonds4

About 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide

6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide (PubChem CID 118414383) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide
PubChem CID118414383
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)n1
InChIInChI=1S/C22H16F3N3O/c23-22(24,25)17-7-4-14(5-8-17)13-28-11-10-16-12-15(6-9-20(16)28)18-2-1-3-19(27-18)21(26)29/h1-12H,13H2,(H2,26,29)
InChIKeyWQJPIUJPAPHJCK-UHFFFAOYSA-N
XLogP4.87
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide (CID 118414383) is 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide is NC(=O)c1cccc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)n1.
What is the InChIKey of 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide?
The InChIKey is WQJPIUJPAPHJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O/c23-22(24,25)17-7-4-14(5-8-17)13-28-11-10-16-12-15(6-9-20(16)28)18-2-1-3-19(27-18)21(26)29/h1-12H,13H2,(H2,26,29).
What are the key properties of 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide?
6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118414383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).