5-(2,6-diazaspiro[3.3]heptan-2-yl)-N,6-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C15H19F3N4O3 — CID 174227125

IUPAC5-(2,6-diazaspiro[3.3]heptan-2-yl)-N,6-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)c1ccc(N2CC3(CNC3)C2)c(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N4O.C2HF3O2/c1-9-11(4-3-10(16-9)12(18)14-2)17-7-13(8-17)5-15-6-13;3-2(4,5)1(6)7/h3-4,15H,5-8H2,1-2H3,(H,14,18);(H,6,7)
InChIKeyPBRCODRMOKZYHL-UHFFFAOYSA-N
MW360.34 g/mol
LogP0.79
Rot. Bonds2

About 5-(2,6-diazaspiro[3.3]heptan-2-yl)-N,6-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid

5-(2,6-diazaspiro[3.3]heptan-2-yl)-N,6-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 174227125) has the molecular formula C15H19F3N4O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is 5-(2,6-diazaspiro[3.3]heptan-2-yl)-N,6-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(2,6-diazaspiro[3.3]heptan-2-yl)-N,6-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID174227125
Molecular FormulaC15H19F3N4O3
Molecular Weight360.34 g/mol
Exact Mass360.14
IUPAC Name5-(2,6-diazaspiro[3.3]heptan-2-yl)-N,6-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)c1ccc(N2CC3(CNC3)C2)c(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N4O.C2HF3O2/c1-9-11(4-3-10(16-9)12(18)14-2)17-7-13(8-17)5-15-6-13;3-2(4,5)1(6)7/h3-4,15H,5-8H2,1-2H3,(H,14,18);(H,6,7)
InChIKeyPBRCODRMOKZYHL-UHFFFAOYSA-N
XLogP0.79
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diazaspiro[3.3]heptan-2-yl)-N,6-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(2,6-diazaspiro[3.3]heptan-2-yl)-N,6-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 174227125) is 5-(2,6-diazaspiro[3.3]heptan-2-yl)-N,6-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-(2,6-diazaspiro[3.3]heptan-2-yl)-N,6-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(2,6-diazaspiro[3.3]heptan-2-yl)-N,6-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid is CNC(=O)c1ccc(N2CC3(CNC3)C2)c(C)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-(2,6-diazaspiro[3.3]heptan-2-yl)-N,6-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is PBRCODRMOKZYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O.C2HF3O2/c1-9-11(4-3-10(16-9)12(18)14-2)17-7-13(8-17)5-15-6-13;3-2(4,5)1(6)7/h3-4,15H,5-8H2,1-2H3,(H,14,18);(H,6,7).
What are the key properties of 5-(2,6-diazaspiro[3.3]heptan-2-yl)-N,6-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
5-(2,6-diazaspiro[3.3]heptan-2-yl)-N,6-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 360.34 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diazaspiro[3.3]heptan-2-yl)-N,6-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174227125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).