tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate

C15H23BrN2O3 — CID 165369012

IUPACtert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCOc1ccc(Br)nc1
InChIInChI=1S/C15H23BrN2O3/c1-15(2,3)21-14(19)17-9-5-4-6-10-20-12-7-8-13(16)18-11-12/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyDCZDLRXBFDEGRB-UHFFFAOYSA-N
MW359.26 g/mol
LogP3.92
Rot. Bonds7

About tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate

tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate (PubChem CID 165369012) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate
PubChem CID165369012
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Nametert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCOc1ccc(Br)nc1
InChIInChI=1S/C15H23BrN2O3/c1-15(2,3)21-14(19)17-9-5-4-6-10-20-12-7-8-13(16)18-11-12/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyDCZDLRXBFDEGRB-UHFFFAOYSA-N
XLogP3.92
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]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 N-[2-[(6-bromo-3-pyridinyl)amino]ethyl]carbamate
CID 103949623
methyl (2S)-2-amino-3-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]phenyl]propanoate
CID 15850730
tert-butyl N-[3-(3-bromophenoxy)propyl]carbamate
CID 68922177
tert-butyl N-[4-(1H-pyrazol-5-yloxy)butyl]carbamate
CID 164885813
tert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate
CID 144947801
6-bromopyridin-3-ol;tert-butyl 4-bromobutanoate;tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]butanoate
CID 159823301
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]-4-octoxybenzoic acid
CID 121440206
tert-butyl N-[3-[4-(sulfanylamino)phenoxy]propyl]carbamate
CID 23525758
5-[(6-bromo-3-pyridinyl)oxy]pentan-2-one
CID 161220213
tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate
CID 11500545
tert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate
CID 86669526
tert-butyl N-[4-(6-bromo-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171885899

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate (CID 165369012) is tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate is CC(C)(C)OC(=O)NCCCCCOc1ccc(Br)nc1.
What is the InChIKey of tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate?
The InChIKey is DCZDLRXBFDEGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-15(2,3)21-14(19)17-9-5-4-6-10-20-12-7-8-13(16)18-11-12/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate?
tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate has a molecular weight of 359.26 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate is sourced from PubChem (CID 165369012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).