tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate

C14H21BrN2O2 — CID 156580262

IUPACtert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(C(=O)OC(C)(C)C)c1cc(Br)ccn1
InChIInChI=1S/C14H21BrN2O2/c1-10(2)9-17(13(18)19-14(3,4)5)12-8-11(15)6-7-16-12/h6-8,10H,9H2,1-5H3
InChIKeySDADFKWKXJMRON-UHFFFAOYSA-N
MW329.24 g/mol
LogP4.24
Rot. Bonds3

About tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate

tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate (PubChem CID 156580262) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate
PubChem CID156580262
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Nametert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(C(=O)OC(C)(C)C)c1cc(Br)ccn1
InChIInChI=1S/C14H21BrN2O2/c1-10(2)9-17(13(18)19-14(3,4)5)12-8-11(15)6-7-16-12/h6-8,10H,9H2,1-5H3
InChIKeySDADFKWKXJMRON-UHFFFAOYSA-N
XLogP4.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate?
The IUPAC name of tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate (CID 156580262) is tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate is CC(C)CN(C(=O)OC(C)(C)C)c1cc(Br)ccn1.
What is the InChIKey of tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate?
The InChIKey is SDADFKWKXJMRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-10(2)9-17(13(18)19-14(3,4)5)12-8-11(15)6-7-16-12/h6-8,10H,9H2,1-5H3.
What are the key properties of tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate?
tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate has a molecular weight of 329.24 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate is sourced from PubChem (CID 156580262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).