N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C17H22F3N3O2 — CID 119847130

IUPACN-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(NCc1cccnc1OCC(F)(F)F)C1CC2CCCCC2N1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)10-25-16-12(5-3-7-21-16)9-22-15(24)14-8-11-4-1-2-6-13(11)23-14/h3,5,7,11,13-14,23H,1-2,4,6,8-10H2,(H,22,24)
InChIKeyRSZAXGKKQWZKAW-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.56
Rot. Bonds5

About N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119847130) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119847130
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC NameN-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(NCc1cccnc1OCC(F)(F)F)C1CC2CCCCC2N1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)10-25-16-12(5-3-7-21-16)9-22-15(24)14-8-11-4-1-2-6-13(11)23-14/h3,5,7,11,13-14,23H,1-2,4,6,8-10H2,(H,22,24)
InChIKeyRSZAXGKKQWZKAW-UHFFFAOYSA-N
XLogP2.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119275604
N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119275603
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 119847102
N-[[4-(trifluoromethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119275113
N-[(2-methoxyphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24708482
N-[(2-bromophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119280612
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119276081
N-[[2-(difluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119276984
N-[[2-(propoxymethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119295267
2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 55613890
2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 119847157
1-(2,2-dimethylpropanoyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55614007

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119847130) is N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is O=C(NCc1cccnc1OCC(F)(F)F)C1CC2CCCCC2N1.
What is the InChIKey of N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is RSZAXGKKQWZKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c18-17(19,20)10-25-16-12(5-3-7-21-16)9-22-15(24)14-8-11-4-1-2-6-13(11)23-14/h3,5,7,11,13-14,23H,1-2,4,6,8-10H2,(H,22,24).
What are the key properties of N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119847130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).