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

C14H19BrN2O2 — CID 131735467

IUPACtert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC1CC1)c1cc(Br)ccn1
InChIInChI=1S/C14H19BrN2O2/c1-14(2,3)19-13(18)17(9-10-4-5-10)12-8-11(15)6-7-16-12/h6-8,10H,4-5,9H2,1-3H3
InChIKeyYEZDVDSLJPGDDI-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.00
Rot. Bonds3

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

tert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate (PubChem CID 131735467) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is tert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate
PubChem CID131735467
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Nametert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC1CC1)c1cc(Br)ccn1
InChIInChI=1S/C14H19BrN2O2/c1-14(2,3)19-13(18)17(9-10-4-5-10)12-8-11(15)6-7-16-12/h6-8,10H,4-5,9H2,1-3H3
InChIKeyYEZDVDSLJPGDDI-UHFFFAOYSA-N
XLogP4.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.00
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-(cyclopropylmethyl)carbamate?
The IUPAC name of tert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate (CID 131735467) is tert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate is CC(C)(C)OC(=O)N(CC1CC1)c1cc(Br)ccn1.
What is the InChIKey of tert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate?
The InChIKey is YEZDVDSLJPGDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-14(2,3)19-13(18)17(9-10-4-5-10)12-8-11(15)6-7-16-12/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of tert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate?
tert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate has a molecular weight of 327.22 g/mol, XLogP of 4.00, 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-(cyclopropylmethyl)carbamate is sourced from PubChem (CID 131735467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).