2-pyridin-2-yl-1-[(2,3,4-trifluorophenyl)methyl]-2,3-dihydroindole-4-carboxamide

C21H16F3N3O — CID 122655009

IUPAC2-pyridin-2-yl-1-[(2,3,4-trifluorophenyl)methyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CC(c1ccccn1)N2Cc1ccc(F)c(F)c1F
InChIInChI=1S/C21H16F3N3O/c22-15-8-7-12(19(23)20(15)24)11-27-17-6-3-4-13(21(25)28)14(17)10-18(27)16-5-1-2-9-26-16/h1-9,18H,10-11H2,(H2,25,28)
InChIKeyKGOIXKYBLSJWFY-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.90
Rot. Bonds4

About 2-pyridin-2-yl-1-[(2,3,4-trifluorophenyl)methyl]-2,3-dihydroindole-4-carboxamide

2-pyridin-2-yl-1-[(2,3,4-trifluorophenyl)methyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122655009) has the molecular formula C21H16F3N3O and a molecular weight of 383.37 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-[(2,3,4-trifluorophenyl)methyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name2-pyridin-2-yl-1-[(2,3,4-trifluorophenyl)methyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122655009
Molecular FormulaC21H16F3N3O
Molecular Weight383.37 g/mol
Exact Mass383.12
IUPAC Name2-pyridin-2-yl-1-[(2,3,4-trifluorophenyl)methyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CC(c1ccccn1)N2Cc1ccc(F)c(F)c1F
InChIInChI=1S/C21H16F3N3O/c22-15-8-7-12(19(23)20(15)24)11-27-17-6-3-4-13(21(25)28)14(17)10-18(27)16-5-1-2-9-26-16/h1-9,18H,10-11H2,(H2,25,28)
InChIKeyKGOIXKYBLSJWFY-UHFFFAOYSA-N
XLogP3.90
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.90
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

9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174400319
7-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136839508
2-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 95200148
11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 140675816
(3aS,6aS)-4-[(2,3-difluorophenyl)methyl]-1-(pyridin-2-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;2,2,2-trifluoroacetic acid
CID 171695652
2-pyridin-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 141417552
1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181575
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 26392890
4-fluoro-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarbothioamide
CID 43096906
ethyl 4-[[(4Z)-4-[(4-fluoro-3-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]methyl]benzoate
CID 108692335
N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide
CID 110481973
7-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136839494

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-[(2,3,4-trifluorophenyl)methyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 2-pyridin-2-yl-1-[(2,3,4-trifluorophenyl)methyl]-2,3-dihydroindole-4-carboxamide (CID 122655009) is 2-pyridin-2-yl-1-[(2,3,4-trifluorophenyl)methyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 2-pyridin-2-yl-1-[(2,3,4-trifluorophenyl)methyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 2-pyridin-2-yl-1-[(2,3,4-trifluorophenyl)methyl]-2,3-dihydroindole-4-carboxamide is NC(=O)c1cccc2c1CC(c1ccccn1)N2Cc1ccc(F)c(F)c1F.
What is the InChIKey of 2-pyridin-2-yl-1-[(2,3,4-trifluorophenyl)methyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is KGOIXKYBLSJWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O/c22-15-8-7-12(19(23)20(15)24)11-27-17-6-3-4-13(21(25)28)14(17)10-18(27)16-5-1-2-9-26-16/h1-9,18H,10-11H2,(H2,25,28).
What are the key properties of 2-pyridin-2-yl-1-[(2,3,4-trifluorophenyl)methyl]-2,3-dihydroindole-4-carboxamide?
2-pyridin-2-yl-1-[(2,3,4-trifluorophenyl)methyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-[(2,3,4-trifluorophenyl)methyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122655009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).