tert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate

C18H28N4O3 — CID 176564154

IUPACtert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCOc1c(N)cncc1N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C18H28N4O3/c1-17(2,3)25-16(23)21-7-5-18(6-8-21)11-22(12-18)14-10-20-9-13(19)15(14)24-4/h9-10H,5-8,11-12,19H2,1-4H3
InChIKeyIYCZSXZUBFBRQJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.51
Rot. Bonds2

About tert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 176564154) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is tert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID176564154
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Nametert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCOc1c(N)cncc1N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C18H28N4O3/c1-17(2,3)25-16(23)21-7-5-18(6-8-21)11-22(12-18)14-10-20-9-13(19)15(14)24-4/h9-10H,5-8,11-12,19H2,1-4H3
InChIKeyIYCZSXZUBFBRQJ-UHFFFAOYSA-N
XLogP2.51
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 8-isoquinolin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 134145695
tert-butyl 9-(4-amino-5-methoxy-2-methylphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 167272919
tert-butyl 7-(2-aminophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 89272008
CID 89265211
CID 89265211
tert-butyl 2-(6-cyano-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 155770085
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
tert-butyl 2-(6-amino-5-nitro-2-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 169033421
3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid
CID 156885263
tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 168901631
tert-butyl 2-[5-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 155345447
2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate
CID 90068547
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 176564154) is tert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate is COc1c(N)cncc1N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is IYCZSXZUBFBRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-17(2,3)25-16(23)21-7-5-18(6-8-21)11-22(12-18)14-10-20-9-13(19)15(14)24-4/h9-10H,5-8,11-12,19H2,1-4H3.
What are the key properties of tert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 176564154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).