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

C13H19BrN2O3 — CID 156580264

IUPACtert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate
SMILESCOCCN(C(=O)OC(C)(C)C)c1cc(Br)ccn1
InChIInChI=1S/C13H19BrN2O3/c1-13(2,3)19-12(17)16(7-8-18-4)11-9-10(14)5-6-15-11/h5-6,9H,7-8H2,1-4H3
InChIKeyBIKKGGTVKHICPK-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.23
Rot. Bonds4

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

tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate (PubChem CID 156580264) has the molecular formula C13H19BrN2O3 and a molecular weight of 331.21 g/mol. Its IUPAC name is tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate
PubChem CID156580264
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Nametert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate
SMILESCOCCN(C(=O)OC(C)(C)C)c1cc(Br)ccn1
InChIInChI=1S/C13H19BrN2O3/c1-13(2,3)19-12(17)16(7-8-18-4)11-9-10(14)5-6-15-11/h5-6,9H,7-8H2,1-4H3
InChIKeyBIKKGGTVKHICPK-UHFFFAOYSA-N
XLogP3.23
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate
CID 156580262
tert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate
CID 131735467
tert-butyl N-[(4-bromo-2-pyridinyl)methyl]-N-methylcarbamate
CID 133062977
methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268384
methyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methylpropan-2-yl)oxycarbonyl-(4-methyl-2-pyridinyl)amino]pentanoate
CID 170537255
tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
CID 83717032
[(4-chloro-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl acetate
CID 151937119
tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate
CID 166176544
tert-butyl N-(2-bromopyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 142721523
tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate
CID 53414297
methyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]ethoxy]benzoate
CID 54123993
methyl (3S)-3-(3-bromophenyl)-6-[4-[(2-methylpropan-2-yl)oxycarbonyl-(4-methyl-2-pyridinyl)amino]butanoylamino]-5-oxohexanoate
CID 159966899

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate?
The IUPAC name of tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate (CID 156580264) is tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate is COCCN(C(=O)OC(C)(C)C)c1cc(Br)ccn1.
What is the InChIKey of tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate?
The InChIKey is BIKKGGTVKHICPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-13(2,3)19-12(17)16(7-8-18-4)11-9-10(14)5-6-15-11/h5-6,9H,7-8H2,1-4H3.
What are the key properties of tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate?
tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate has a molecular weight of 331.21 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 156580264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).