tert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 2-(6-nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate

C38H54N8O8 — CID 158804081

IUPACtert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 2-(6-nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCN(c3ccc(N)nc3)C2=O)CC1.CC(C)(C)OC(=O)N1CCC2(CCCN(c3ccc([N+](=O)[O-])nc3)C2=O)CC1
InChIInChI=1S/C19H26N4O5.C19H28N4O3/c1-18(2,3)28-17(25)21-11-8-19(9-12-21)7-4-10-22(16(19)24)14-5-6-15(20-13-14)23(26)27;1-18(2,3)26-17(25)22-11-8-19(9-12-22)7-4-10-23(16(19)24)14-5-6-15(20)21-13-14/h5-6,13H,4,7-12H2,1-3H3;5-6,13H,4,7-12H2,1-3H3,(H2,20,21)
InChIKeyITVSZKTUEPMTMV-UHFFFAOYSA-N
MW750.90 g/mol
LogP5.94
Rot. Bonds3

About tert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 2-(6-nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate

tert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 2-(6-nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 158804081) has the molecular formula C38H54N8O8 and a molecular weight of 750.90 g/mol. Its IUPAC name is tert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 2-(6-nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 2-(6-nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID158804081
Molecular FormulaC38H54N8O8
Molecular Weight750.90 g/mol
Exact Mass750.41
IUPAC Nametert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 2-(6-nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCN(c3ccc(N)nc3)C2=O)CC1.CC(C)(C)OC(=O)N1CCC2(CCCN(c3ccc([N+](=O)[O-])nc3)C2=O)CC1
InChIInChI=1S/C19H26N4O5.C19H28N4O3/c1-18(2,3)28-17(25)21-11-8-19(9-12-21)7-4-10-22(16(19)24)14-5-6-15(20-13-14)23(26)27;1-18(2,3)26-17(25)22-11-8-19(9-12-22)7-4-10-23(16(19)24)14-5-6-15(20)21-13-14/h5-6,13H,4,7-12H2,1-3H3;5-6,13H,4,7-12H2,1-3H3,(H2,20,21)
InChIKeyITVSZKTUEPMTMV-UHFFFAOYSA-N
XLogP5.94
TPSA194.64 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500750.90
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 2-(6-nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-Amino-pyridin-3-yl)-1-oxo-2,9-diaza-spiro[5,5]undecane-9-carboxylic acid tert-butyl ester
CID 67355323
2-(6-Nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylic acid 1,1-dimethylethyl ester
CID 67355702
2-(6-Nitro-3-pyridinyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid 1,1-dimethylethyl ester
CID 67356000
Tert-butyl 4-(6-amino-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate
CID 69861474
Tert-butyl 2-(6-nitroso-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 88913265
Tert-butyl 9-(6-nitro-3-pyridinyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 129276763
2-(6-Nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 152129677
Tert-butyl 4-[5-nitro-6-[[2-(piperidine-1-carbonylamino)-4-pyridinyl]amino]-2-pyridinyl]piperazine-1-carboxylate
CID 156406155
Tert-butyl 5-[5-nitro-6-(pyridin-4-ylamino)-2-pyridinyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
CID 156406373
Tert-butyl 4-(5-nitro-2-pyridinyl)piperazine-1-carboxylate;1-(5-nitro-2-pyridinyl)piperazine
CID 156566071
1-(6-Amino-3-pyridinyl)-3,6-dimethylpiperidin-3-ol;tert-butyl 5-hydroxy-2,5-dimethylpiperidine-1-carboxylate;3,6-dimethyl-1-(6-nitro-3-pyridinyl)piperidin-3-ol;3,6-dimethylpiperidin-3-ol;5-fluoro-2-nitropyridine
CID 157472573
Tert-butyl 4-(5-amino-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-nitro-2-pyridinyl)piperazine-1-carboxylate
CID 157480250

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 2-(6-nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of tert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 2-(6-nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 158804081) is tert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 2-(6-nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 2-(6-nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 2-(6-nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCCN(c3ccc(N)nc3)C2=O)CC1.CC(C)(C)OC(=O)N1CCC2(CCCN(c3ccc([N+](=O)[O-])nc3)C2=O)CC1.
What is the InChIKey of tert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 2-(6-nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is ITVSZKTUEPMTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5.C19H28N4O3/c1-18(2,3)28-17(25)21-11-8-19(9-12-21)7-4-10-22(16(19)24)14-5-6-15(20-13-14)23(26)27;1-18(2,3)26-17(25)22-11-8-19(9-12-22)7-4-10-23(16(19)24)14-5-6-15(20)21-13-14/h5-6,13H,4,7-12H2,1-3H3;5-6,13H,4,7-12H2,1-3H3,(H2,20,21).
What are the key properties of tert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 2-(6-nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate?
tert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 2-(6-nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 750.90 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 2-(6-nitro-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 158804081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).