6-fluoro-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide

C17H15F4N3O2 — CID 171787305

IUPAC6-fluoro-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NCc1ccnc(OCC(F)(F)F)c1)N1CCc2ccc(F)cc21
InChIInChI=1S/C17H15F4N3O2/c18-13-2-1-12-4-6-24(14(12)8-13)16(25)23-9-11-3-5-22-15(7-11)26-10-17(19,20)21/h1-3,5,7-8H,4,6,9-10H2,(H,23,25)
InChIKeyGXPKFDVESVMNEJ-UHFFFAOYSA-N
MW369.32 g/mol
LogP3.43
Rot. Bonds4

About 6-fluoro-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide

6-fluoro-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 171787305) has the molecular formula C17H15F4N3O2 and a molecular weight of 369.32 g/mol. Its IUPAC name is 6-fluoro-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide
PubChem CID171787305
Molecular FormulaC17H15F4N3O2
Molecular Weight369.32 g/mol
Exact Mass369.11
IUPAC Name6-fluoro-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NCc1ccnc(OCC(F)(F)F)c1)N1CCc2ccc(F)cc21
InChIInChI=1S/C17H15F4N3O2/c18-13-2-1-12-4-6-24(14(12)8-13)16(25)23-9-11-3-5-22-15(7-11)26-10-17(19,20)21/h1-3,5,7-8H,4,6,9-10H2,(H,23,25)
InChIKeyGXPKFDVESVMNEJ-UHFFFAOYSA-N
XLogP3.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydroindole-1-carboxamide
CID 47032081
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 171787434
2-(5-fluoro-2-methylphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787141
methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 171787356
1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
CID 39501753
(2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide
CID 95287089
1-amino-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119847030
3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 178036152
N-benzyl-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 110747443
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685
1-(1-bicyclo[1.1.1]pentanyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 162524382
2-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 110014086

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-fluoro-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide (CID 171787305) is 6-fluoro-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-fluoro-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-fluoro-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide is O=C(NCc1ccnc(OCC(F)(F)F)c1)N1CCc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is GXPKFDVESVMNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O2/c18-13-2-1-12-4-6-24(14(12)8-13)16(25)23-9-11-3-5-22-15(7-11)26-10-17(19,20)21/h1-3,5,7-8H,4,6,9-10H2,(H,23,25).
What are the key properties of 6-fluoro-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide?
6-fluoro-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 369.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 171787305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).