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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Related Compounds

tert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate
CID 154776228
tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate
CID 156580262
tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate
CID 156580264
tert-butyl N-(3-bromo-5-methoxyphenyl)-N-(cyclopropylmethyl)carbamate
CID 162369960
tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate
CID 153425981
tert-butyl N-[(4-bromo-2-pyridinyl)methyl]-N-methylcarbamate
CID 133062977
tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate
CID 146676934
tert-butyl N-[(6-bromopyridazin-3-yl)methyl]-N-(cyclopropylmethyl)carbamate
CID 163382772
[(4-chloro-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl acetate
CID 151937119
methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268384
tert-butyl N-(2-bromopyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 142721523
tert-butyl N-[4-[4-[2-[1-[4-(aminomethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]acetyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate
CID 158185669

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).