tert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate

C18H26ClN3O2 — CID 67497681

IUPACtert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC2)CC1CNc1ccc(Cl)cn1
InChIInChI=1S/C18H26ClN3O2/c1-17(2,3)24-16(23)22-9-8-18(6-7-18)10-14(22)12-21-15-5-4-13(19)11-20-15/h4-5,11,14H,6-10,12H2,1-3H3,(H,20,21)
InChIKeyGBNCDEWIMCEGOP-UHFFFAOYSA-N
MW351.88 g/mol
LogP4.33
Rot. Bonds3

About tert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate

tert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 67497681) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is tert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate
PubChem CID67497681
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Nametert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC2)CC1CNc1ccc(Cl)cn1
InChIInChI=1S/C18H26ClN3O2/c1-17(2,3)24-16(23)22-9-8-18(6-7-18)10-14(22)12-21-15-5-4-13(19)11-20-15/h4-5,11,14H,6-10,12H2,1-3H3,(H,20,21)
InChIKeyGBNCDEWIMCEGOP-UHFFFAOYSA-N
XLogP4.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 7-[[(5-fluoropyrimidin-2-yl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 67498621
tert-butyl 6-[[(5-chloropyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 66848865
tert-butyl 7-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 67497787
tert-butyl (2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176737
tert-butyl 2-[[(5-bromo-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 67090767
[(7R)-7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 66848385
tert-butyl 2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carboxylate;ethane
CID 155735409
[7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone
CID 66899710
tert-butyl (2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 170977694
[7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone
CID 67497586
[8-[[(5-chloro-2-pyridinyl)amino]methyl]-7-azaspiro[3.5]nonan-7-yl]-[5-[(1R)-cyclohexa-2,4-dien-1-yl]-2-methyl-1,3-thiazol-4-yl]methanone
CID 163685377
tert-butyl (2S)-2-[[(5-cyano-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 91203490

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of tert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate (CID 67497681) is tert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for tert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for tert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC2)CC1CNc1ccc(Cl)cn1.
What is the InChIKey of tert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is GBNCDEWIMCEGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-17(2,3)24-16(23)22-9-8-18(6-7-18)10-14(22)12-21-15-5-4-13(19)11-20-15/h4-5,11,14H,6-10,12H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate?
tert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 351.88 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 67497681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).