tert-butyl N-[2-(6-chloro-3-pyridinyl)-1-cyclobutylethyl]carbamate

C16H23ClN2O2 — CID 155702899

IUPACtert-butyl N-[2-(6-chloro-3-pyridinyl)-1-cyclobutylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccc(Cl)nc1)C1CCC1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,3)21-15(20)19-13(12-5-4-6-12)9-11-7-8-14(17)18-10-11/h7-8,10,12-13H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyJOWMMJDCRSWCBI-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.97
Rot. Bonds4

About tert-butyl N-[2-(6-chloro-3-pyridinyl)-1-cyclobutylethyl]carbamate

tert-butyl N-[2-(6-chloro-3-pyridinyl)-1-cyclobutylethyl]carbamate (PubChem CID 155702899) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is tert-butyl N-[2-(6-chloro-3-pyridinyl)-1-cyclobutylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-chloro-3-pyridinyl)-1-cyclobutylethyl]carbamate
PubChem CID155702899
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Nametert-butyl N-[2-(6-chloro-3-pyridinyl)-1-cyclobutylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccc(Cl)nc1)C1CCC1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,3)21-15(20)19-13(12-5-4-6-12)9-11-7-8-14(17)18-10-11/h7-8,10,12-13H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyJOWMMJDCRSWCBI-UHFFFAOYSA-N
XLogP3.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3R)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]carbamate
CID 71629138
tert-butyl N-[1-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
CID 78851204
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-pyridin-4-ylethyl]carbamate
CID 10587696
tert-butyl N-[(1S)-2-(4-fluorophenyl)-1-(oxiran-2-yl)ethyl]carbamate
CID 91580444
tert-butyl N-[2-(4-fluorophenyl)-1-(oxiran-2-yl)ethyl]carbamate
CID 18975740
tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate
CID 104879550
tert-butyl N-[1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 53216973
tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;tert-butyl N-[(1R)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 160649461
tert-butyl N-[[(3S)-1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]methyl]carbamate
CID 95044081
tert-butyl N-[2-(4-carbamoylphenyl)-1-(oxiran-2-yl)ethyl]carbamate
CID 53398478
tert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate
CID 70041530

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-chloro-3-pyridinyl)-1-cyclobutylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6-chloro-3-pyridinyl)-1-cyclobutylethyl]carbamate (CID 155702899) is tert-butyl N-[2-(6-chloro-3-pyridinyl)-1-cyclobutylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6-chloro-3-pyridinyl)-1-cyclobutylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6-chloro-3-pyridinyl)-1-cyclobutylethyl]carbamate is CC(C)(C)OC(=O)NC(Cc1ccc(Cl)nc1)C1CCC1.
What is the InChIKey of tert-butyl N-[2-(6-chloro-3-pyridinyl)-1-cyclobutylethyl]carbamate?
The InChIKey is JOWMMJDCRSWCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-16(2,3)21-15(20)19-13(12-5-4-6-12)9-11-7-8-14(17)18-10-11/h7-8,10,12-13H,4-6,9H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(6-chloro-3-pyridinyl)-1-cyclobutylethyl]carbamate?
tert-butyl N-[2-(6-chloro-3-pyridinyl)-1-cyclobutylethyl]carbamate has a molecular weight of 310.83 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(6-chloro-3-pyridinyl)-1-cyclobutylethyl]carbamate is sourced from PubChem (CID 155702899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).