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

C19H28N4O3 — CID 67355323

IUPACtert-butyl 2-(6-amino-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
InChIInChI=1S/C19H28N4O3/c1-18(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,(H2,20,21)
InChIKeyGAFIPFHPWOEZCF-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.81
Rot. Bonds1

About tert-butyl 2-(6-amino-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 (PubChem CID 67355323) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is tert-butyl 2-(6-amino-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
PubChem CID67355323
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Nametert-butyl 2-(6-amino-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
InChIInChI=1S/C19H28N4O3/c1-18(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,(H2,20,21)
InChIKeyGAFIPFHPWOEZCF-UHFFFAOYSA-N
XLogP2.81
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-(6-amino-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

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?
The IUPAC name of tert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 67355323) is tert-butyl 2-(6-amino-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?
The canonical SMILES for tert-butyl 2-(6-amino-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.
What is the InChIKey of tert-butyl 2-(6-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is GAFIPFHPWOEZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-18(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,(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-amino-3-pyridinyl)-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 360.46 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 67355323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).