tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate

C16H19BrN4O2 — CID 103823822

IUPACtert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NCc2ccc(Br)cn2)cn1
InChIInChI=1S/C16H19BrN4O2/c1-16(2,3)23-15(22)21-14-7-6-13(10-20-14)19-9-12-5-4-11(17)8-18-12/h4-8,10,19H,9H2,1-3H3,(H,20,21,22)
InChIKeyOJXOMSDUHORANK-UHFFFAOYSA-N
MW379.26 g/mol
LogP4.20
Rot. Bonds4

About tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate

tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate (PubChem CID 103823822) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate
PubChem CID103823822
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC Nametert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NCc2ccc(Br)cn2)cn1
InChIInChI=1S/C16H19BrN4O2/c1-16(2,3)23-15(22)21-14-7-6-13(10-20-14)19-9-12-5-4-11(17)8-18-12/h4-8,10,19H,9H2,1-3H3,(H,20,21,22)
InChIKeyOJXOMSDUHORANK-UHFFFAOYSA-N
XLogP4.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-[(4,5-dibromofuran-2-yl)methylamino]-2-pyridinyl]carbamate
CID 107243072
tert-butyl N-[5-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-pyridinyl]carbamate
CID 107243135
tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate
CID 90190519
tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate
CID 103823852
tert-butyl N-[5-[(2-aminophenyl)methylamino]-2-pyridinyl]carbamate
CID 107243153
tert-butyl N-[5-[(5-chlorothiophen-2-yl)methylamino]-2-pyridinyl]carbamate
CID 103823865
tert-butyl N-[5-(4-bromo-3-methylanilino)-2-pyridinyl]carbamate
CID 113036118
tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate
CID 103845203
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate;ethane
CID 143167789
tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate
CID 54591947
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate
CID 107243083

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate (CID 103823822) is tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NCc2ccc(Br)cn2)cn1.
What is the InChIKey of tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate?
The InChIKey is OJXOMSDUHORANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c1-16(2,3)23-15(22)21-14-7-6-13(10-20-14)19-9-12-5-4-11(17)8-18-12/h4-8,10,19H,9H2,1-3H3,(H,20,21,22).
What are the key properties of tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate?
tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate has a molecular weight of 379.26 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate is sourced from PubChem (CID 103823822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).