2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C21H16F3N3O — CID 109176481

IUPAC2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc(N2CCc3ccccc32)c1
InChIInChI=1S/C21H16F3N3O/c22-21(23,24)16-5-7-17(8-6-16)26-20(28)15-9-11-25-19(13-15)27-12-10-14-3-1-2-4-18(14)27/h1-9,11,13H,10,12H2,(H,26,28)
InChIKeyLQPVAHQAYJSJAS-UHFFFAOYSA-N
MW383.37 g/mol
LogP5.05
Rot. Bonds3

About 2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide

2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 109176481) has the molecular formula C21H16F3N3O and a molecular weight of 383.37 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID109176481
Molecular FormulaC21H16F3N3O
Molecular Weight383.37 g/mol
Exact Mass383.12
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc(N2CCc3ccccc32)c1
InChIInChI=1S/C21H16F3N3O/c22-21(23,24)16-5-7-17(8-6-16)26-20(28)15-9-11-25-19(13-15)27-12-10-14-3-1-2-4-18(14)27/h1-9,11,13H,10,12H2,(H,26,28)
InChIKeyLQPVAHQAYJSJAS-UHFFFAOYSA-N
XLogP5.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.37
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176475
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109172440
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109176466
2-(2,3-dihydroindol-1-yl)-N-(2-hydroxypropyl)pyridine-4-carboxamide
CID 84574120
2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172612
6-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179343
2-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109176563
N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112902218
2-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 109091604
3-chloro-N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide
CID 113016598
N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide
CID 112986182
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109176550

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 109176481) is 2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc(N2CCc3ccccc32)c1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is LQPVAHQAYJSJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O/c22-21(23,24)16-5-7-17(8-6-16)26-20(28)15-9-11-25-19(13-15)27-12-10-14-3-1-2-4-18(14)27/h1-9,11,13H,10,12H2,(H,26,28).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 109176481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).