tert-butyl 3-(6-cyano-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate

C16H20N4O2 — CID 175789532

IUPACtert-butyl 3-(6-cyano-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CNC2)C1c1cccc(C#N)n1
InChIInChI=1S/C16H20N4O2/c1-15(2,3)22-14(21)20-10-16(8-18-9-16)13(20)12-6-4-5-11(7-17)19-12/h4-6,13,18H,8-10H2,1-3H3
InChIKeyBVCSMGPLOQSEPI-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.83
Rot. Bonds1

About tert-butyl 3-(6-cyano-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate

tert-butyl 3-(6-cyano-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate (PubChem CID 175789532) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is tert-butyl 3-(6-cyano-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(6-cyano-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
PubChem CID175789532
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Nametert-butyl 3-(6-cyano-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CNC2)C1c1cccc(C#N)n1
InChIInChI=1S/C16H20N4O2/c1-15(2,3)22-14(21)20-10-16(8-18-9-16)13(20)12-6-4-5-11(7-17)19-12/h4-6,13,18H,8-10H2,1-3H3
InChIKeyBVCSMGPLOQSEPI-UHFFFAOYSA-N
XLogP1.83
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175918955
tert-butyl 3-(4-aminophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175839857
tert-butyl 3-(4-bromo-2,6-difluorophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 169101643
tert-butyl 3-(6-cyanopyridine-2-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171943980
tert-butyl 3-[(6-bromo-2-methyl-3-pyridinyl)sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 176550350
tert-butyl 3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 176550361
tert-butyl 3-[5-[4-fluoro-2-[4-fluoro-2-(2-fluoropropan-2-yl)phenyl]phenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175715072
tert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate
CID 163854248
tert-butyl 6-cyanopyrrolo[2,3-b]pyridine-1-carboxylate
CID 71743190
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 2-(6-phenylpyrimidin-4-yl)pyrrolidine-1-carboxylate
CID 118426415
tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate
CID 162385936

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(6-cyano-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 3-(6-cyano-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate (CID 175789532) is tert-butyl 3-(6-cyano-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 3-(6-cyano-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 3-(6-cyano-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CNC2)C1c1cccc(C#N)n1.
What is the InChIKey of tert-butyl 3-(6-cyano-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The InChIKey is BVCSMGPLOQSEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-15(2,3)22-14(21)20-10-16(8-18-9-16)13(20)12-6-4-5-11(7-17)19-12/h4-6,13,18H,8-10H2,1-3H3.
What are the key properties of tert-butyl 3-(6-cyano-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate?
tert-butyl 3-(6-cyano-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(6-cyano-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 175789532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).