tert-butyl N-[3-(6-amino-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate

C15H22N4O2 — CID 67355528

IUPACtert-butyl N-[3-(6-amino-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NC12CC1CN(c1ccc(N)nc1)C2
InChIInChI=1S/C15H22N4O2/c1-14(2,3)21-13(20)18-15-6-10(15)8-19(9-15)11-4-5-12(16)17-7-11/h4-5,7,10H,6,8-9H2,1-3H3,(H2,16,17)(H,18,20)
InChIKeyYSQUMWRBEUYICX-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.77
Rot. Bonds2

About tert-butyl N-[3-(6-amino-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate

tert-butyl N-[3-(6-amino-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate (PubChem CID 67355528) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is tert-butyl N-[3-(6-amino-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(6-amino-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate
PubChem CID67355528
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Nametert-butyl N-[3-(6-amino-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NC12CC1CN(c1ccc(N)nc1)C2
InChIInChI=1S/C15H22N4O2/c1-14(2,3)21-13(20)18-15-6-10(15)8-19(9-15)11-4-5-12(16)17-7-11/h4-5,7,10H,6,8-9H2,1-3H3,(H2,16,17)(H,18,20)
InChIKeyYSQUMWRBEUYICX-UHFFFAOYSA-N
XLogP1.77
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-(6-amino-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate 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

tert-butyl (2S,6R)-4-(6-amino-3-pyridinyl)-2,6-dimethylpiperazine-1-carboxylate
CID 168895169
tert-butyl 8-(6-amino-3-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 170040628
tert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate
CID 86683762
(4R)-5-(6-amino-3-pyridinyl)-1-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 155209083
1-(6-amino-3-pyridinyl)azetidin-3-ol
CID 58043812
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 N-[3-[4-(2-oxo-3,6-dihydro-1,3,4-oxadiazin-5-yl)-2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate
CID 151859388
tert-butyl 6-(6-amino-3-pyridinyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate
CID 123588083
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000234
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115949166
tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate
CID 158946312
tert-butyl N-[(3S)-1-(6-nitro-3-pyridinyl)pyrrolidin-3-yl]carbamate
CID 175930356

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(6-amino-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(6-amino-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate (CID 67355528) is tert-butyl N-[3-(6-amino-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(6-amino-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(6-amino-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate is CC(C)(C)OC(=O)NC12CC1CN(c1ccc(N)nc1)C2.
What is the InChIKey of tert-butyl N-[3-(6-amino-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate?
The InChIKey is YSQUMWRBEUYICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-14(2,3)21-13(20)18-15-6-10(15)8-19(9-15)11-4-5-12(16)17-7-11/h4-5,7,10H,6,8-9H2,1-3H3,(H2,16,17)(H,18,20).
What are the key properties of tert-butyl N-[3-(6-amino-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate?
tert-butyl N-[3-(6-amino-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate has a molecular weight of 290.37 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(6-amino-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate is sourced from PubChem (CID 67355528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).