tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate

C17H24FN3O2 — CID 176815797

IUPACtert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(N)nc1)CC12CC(F)(C1)C2
InChIInChI=1S/C17H24FN3O2/c1-15(2,3)23-14(22)21(7-12-4-5-13(19)20-6-12)11-16-8-17(18,9-16)10-16/h4-6H,7-11H2,1-3H3,(H2,19,20)
InChIKeyRBXALKAICSQZAZ-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.29
Rot. Bonds4

About tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate

tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate (PubChem CID 176815797) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate
PubChem CID176815797
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Nametert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(N)nc1)CC12CC(F)(C1)C2
InChIInChI=1S/C17H24FN3O2/c1-15(2,3)23-14(22)21(7-12-4-5-13(19)20-6-12)11-16-8-17(18,9-16)10-16/h4-6H,7-11H2,1-3H3,(H2,19,20)
InChIKeyRBXALKAICSQZAZ-UHFFFAOYSA-N
XLogP3.29
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate
CID 164526047
tert-butyl N-[(4-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate
CID 166513813
tert-butyl N-[(3,4-difluorophenyl)methyl]-N-[[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate
CID 166513811
tert-butyl N-[[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 166513816
tert-butyl N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-N-[[2-[[(5-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
CID 176815627
tert-butyl N-[[2-[[4-[5-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate
CID 176815719
tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
CID 86238106
tert-butyl N-[(6-chloro-3-pyridinyl)methyl]-N-(3-hydroxypropyl)carbamate
CID 86632446
tert-butyl N-[(3-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate
CID 166513805
tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate
CID 141417890
tert-butyl N-[(2-ethylindolizin-6-yl)methyl]-N-[(3-methyl-1-bicyclo[1.1.0]butanyl)methyl]carbamate
CID 163239181
tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate
CID 151301292

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate (CID 176815797) is tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate is CC(C)(C)OC(=O)N(Cc1ccc(N)nc1)CC12CC(F)(C1)C2.
What is the InChIKey of tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate?
The InChIKey is RBXALKAICSQZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-15(2,3)23-14(22)21(7-12-4-5-13(19)20-6-12)11-16-8-17(18,9-16)10-16/h4-6H,7-11H2,1-3H3,(H2,19,20).
What are the key properties of tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate?
tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate has a molecular weight of 321.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate is sourced from PubChem (CID 176815797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).