tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate

C15H21BrN2O2 — CID 146676934

IUPACtert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1cncc(Br)c1)CC1CC1
InChIInChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18(9-11-4-5-11)10-12-6-13(16)8-17-7-12/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyHNARLMNILAWMAV-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.99
Rot. Bonds4

About tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate

tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate (PubChem CID 146676934) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate
PubChem CID146676934
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Nametert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1cncc(Br)c1)CC1CC1
InChIInChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18(9-11-4-5-11)10-12-6-13(16)8-17-7-12/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyHNARLMNILAWMAV-UHFFFAOYSA-N
XLogP3.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate?
The IUPAC name of tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate (CID 146676934) is tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate?
The canonical SMILES for tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate is CC(C)(C)OC(=O)N(Cc1cncc(Br)c1)CC1CC1.
What is the InChIKey of tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate?
The InChIKey is HNARLMNILAWMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18(9-11-4-5-11)10-12-6-13(16)8-17-7-12/h6-8,11H,4-5,9-10H2,1-3H3.
What are the key properties of tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate?
tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate has a molecular weight of 341.25 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate is sourced from PubChem (CID 146676934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).