tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine

C19H24Cl4N4O2 — CID 67427976

IUPACtert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine
SMILESCC(C)(C)OC(=O)NCCc1ncc(Cl)cc1Cl.NCCc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O2.C7H8Cl2N2/c1-12(2,3)18-11(17)15-5-4-10-9(14)6-8(13)7-16-10;8-5-3-6(9)7(1-2-10)11-4-5/h6-7H,4-5H2,1-3H3,(H,15,17);3-4H,1-2,10H2
InChIKeyYRJSDGZNKVHQRP-UHFFFAOYSA-N
MW482.24 g/mol
LogP5.35
Rot. Bonds5

About tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine

tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine (PubChem CID 67427976) has the molecular formula C19H24Cl4N4O2 and a molecular weight of 482.24 g/mol. Its IUPAC name is tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Nametert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine
PubChem CID67427976
Molecular FormulaC19H24Cl4N4O2
Molecular Weight482.24 g/mol
Exact Mass480.07
IUPAC Nametert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine
SMILESCC(C)(C)OC(=O)NCCc1ncc(Cl)cc1Cl.NCCc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O2.C7H8Cl2N2/c1-12(2,3)18-11(17)15-5-4-10-9(14)6-8(13)7-16-10;8-5-3-6(9)7(1-2-10)11-4-5/h6-7H,4-5H2,1-3H3,(H,15,17);3-4H,1-2,10H2
InChIKeyYRJSDGZNKVHQRP-UHFFFAOYSA-N
XLogP5.35
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.24
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine 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-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]carbamate
CID 115697235
tert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate
CID 150355605
tert-butyl N-[4-(2,5-dichloro-3-pyridinyl)but-3-enyl]carbamate
CID 170490185
tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate
CID 117274813
tert-butyl N-[3-(2,4-dichlorophenyl)propyl]carbamate
CID 91048195
tert-butyl N-[4-(5-chloro-3-methyl-2-pyridinyl)but-3-enyl]carbamate
CID 170490142
tert-butyl N-[2-(4-chloro-3-pyridinyl)ethyl]carbamate
CID 141078611
tert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate
CID 138376888
tert-butyl N-[2-[2-(4-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864604
tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate
CID 91247310
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
CID 86238106

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine?
The IUPAC name of tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine (CID 67427976) is tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine.
What is the SMILES notation for tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine?
The canonical SMILES for tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine is CC(C)(C)OC(=O)NCCc1ncc(Cl)cc1Cl.NCCc1ncc(Cl)cc1Cl.
What is the InChIKey of tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine?
The InChIKey is YRJSDGZNKVHQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2.C7H8Cl2N2/c1-12(2,3)18-11(17)15-5-4-10-9(14)6-8(13)7-16-10;8-5-3-6(9)7(1-2-10)11-4-5/h6-7H,4-5H2,1-3H3,(H,15,17);3-4H,1-2,10H2.
What are the key properties of tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine?
tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine has a molecular weight of 482.24 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine is sourced from PubChem (CID 67427976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).