N,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide

C17H21F3N4O2 — CID 133133330

IUPACN,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
SMILESCN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(c1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C17H21F3N4O2/c1-22(2)15(25)10-24-13-5-3-11(16(24)26)8-23(9-13)14-6-4-12(7-21-14)17(18,19)20/h4,6-7,11,13H,3,5,8-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyFCXXPJGSDLRBRR-YPMHNXCESA-N
MW370.38 g/mol
LogP1.62
Rot. Bonds3

About N,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide

N,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide (PubChem CID 133133330) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
PubChem CID133133330
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC NameN,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
SMILESCN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(c1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C17H21F3N4O2/c1-22(2)15(25)10-24-13-5-3-11(16(24)26)8-23(9-13)14-6-4-12(7-21-14)17(18,19)20/h4,6-7,11,13H,3,5,8-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyFCXXPJGSDLRBRR-YPMHNXCESA-N
XLogP1.62
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide with MolForge

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Related Compounds

2-[(1S,5R)-3-[3-(4-fluorophenoxy)propyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 72905561
4-[[(1R,5S)-6-[2-(dimethylamino)-2-oxoethyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]benzoic acid
CID 133117352
2-[(1R,5S)-3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 133127739
N-[3-(dimethylamino)-3-oxopropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 155945603
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63721228
N,N-diethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 78788187
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
N,N-di(propan-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 55412772
(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 67046038
N-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide
CID 165434491
cyclopropyl-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl]methanone
CID 154831085
2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 72897633

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide (CID 133133330) is N,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide is CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(c1ccc(C(F)(F)F)cn1)C2.
What is the InChIKey of N,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The InChIKey is FCXXPJGSDLRBRR-YPMHNXCESA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-22(2)15(25)10-24-13-5-3-11(16(24)26)8-23(9-13)14-6-4-12(7-21-14)17(18,19)20/h4,6-7,11,13H,3,5,8-10H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of N,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
N,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide has a molecular weight of 370.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1R,5S)-7-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide is sourced from PubChem (CID 133133330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).