tert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate

C17H24N4O3 — CID 67354954

IUPACtert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC12CCN(c1ccc(N)nc1)C2=O
InChIInChI=1S/C17H24N4O3/c1-16(2,3)24-15(23)21-9-4-7-17(21)8-10-20(14(17)22)12-5-6-13(18)19-11-12/h5-6,11H,4,7-10H2,1-3H3,(H2,18,19)
InChIKeyCMZXFIOKKKFFMN-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.17
Rot. Bonds1

About tert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate

tert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate (PubChem CID 67354954) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
PubChem CID67354954
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Nametert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC12CCN(c1ccc(N)nc1)C2=O
InChIInChI=1S/C17H24N4O3/c1-16(2,3)24-15(23)21-9-4-7-17(21)8-10-20(14(17)22)12-5-6-13(18)19-11-12/h5-6,11H,4,7-10H2,1-3H3,(H2,18,19)
InChIKeyCMZXFIOKKKFFMN-UHFFFAOYSA-N
XLogP2.17
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 8-(6-amino-3-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 170040628
tert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 167163701
tert-butyl (5R)-6-oxo-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 73013452
tert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate
CID 86683762
tert-butyl 3-(6-amino-3-pyridinyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxylate;tert-butyl 3-(6-nitro-3-pyridinyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxylate
CID 161410421
2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 24805629
tert-butyl 10-methyl-11-oxo-1,10-diazaspiro[4.6]undec-7-ene-1-carboxylate
CID 139371603
tert-butyl (2S)-5-(6-amino-3-pyridinyl)-2-methyl-5,8-diazatricyclo[4.2.0.01,3]octane-8-carboxylate
CID 138493218
tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate
CID 102146444
tert-butyl (2S,6R)-4-(6-amino-3-pyridinyl)-2,6-dimethylpiperazine-1-carboxylate
CID 168895169
tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate
CID 158946312
tert-butyl (5S)-9-[(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate
CID 10905991

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate?
The IUPAC name of tert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate (CID 67354954) is tert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate.
What is the SMILES notation for tert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate?
The canonical SMILES for tert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate is CC(C)(C)OC(=O)N1CCCC12CCN(c1ccc(N)nc1)C2=O.
What is the InChIKey of tert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate?
The InChIKey is CMZXFIOKKKFFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-16(2,3)24-15(23)21-9-4-7-17(21)8-10-20(14(17)22)12-5-6-13(18)19-11-12/h5-6,11H,4,7-10H2,1-3H3,(H2,18,19).
What are the key properties of tert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate?
tert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate is sourced from PubChem (CID 67354954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).