2-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide

C21H14F3N3O2 — CID 109091631

IUPAC2-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccnc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C21H14F3N3O2/c22-14-5-6-15(19(24)18(14)23)26-20(28)13-7-9-25-16(11-13)21(29)27-10-8-12-3-1-2-4-17(12)27/h1-7,9,11H,8,10H2,(H,26,28)
InChIKeyILPADYXWCJCXSH-UHFFFAOYSA-N
MW397.36 g/mol
LogP3.95
Rot. Bonds3

About 2-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide

2-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide (PubChem CID 109091631) has the molecular formula C21H14F3N3O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is 2-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
PubChem CID109091631
Molecular FormulaC21H14F3N3O2
Molecular Weight397.36 g/mol
Exact Mass397.10
IUPAC Name2-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccnc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C21H14F3N3O2/c22-14-5-6-15(19(24)18(14)23)26-20(28)13-7-9-25-16(11-13)21(29)27-10-8-12-3-1-2-4-17(12)27/h1-7,9,11H,8,10H2,(H,26,28)
InChIKeyILPADYXWCJCXSH-UHFFFAOYSA-N
XLogP3.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109049568
2-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 109091604
2-(2,3-dihydroindole-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109090812
2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109083105
[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109087851
2-(2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 109087717
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
3,4-dihydro-2H-quinolin-1-yl-[2-(2,3,4-trifluoroanilino)pyrimidin-4-yl]methanone
CID 109314677
2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109090445
2-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109083923
[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109090729
2-amino-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 62151990

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide (CID 109091631) is 2-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1ccnc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 2-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
The InChIKey is ILPADYXWCJCXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2/c22-14-5-6-15(19(24)18(14)23)26-20(28)13-7-9-25-16(11-13)21(29)27-10-8-12-3-1-2-4-17(12)27/h1-7,9,11H,8,10H2,(H,26,28).
What are the key properties of 2-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
2-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109091631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).