tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate

C12H18FN3O2 — CID 114518182

IUPACtert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ccc(F)cn1
InChIInChI=1S/C12H18FN3O2/c1-12(2,3)18-11(17)15-7-6-14-10-5-4-9(13)8-16-10/h4-5,8H,6-7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyXZPOTHAJPOVILC-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.16
Rot. Bonds4

About tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate

tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate (PubChem CID 114518182) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
PubChem CID114518182
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Nametert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ccc(F)cn1
InChIInChI=1S/C12H18FN3O2/c1-12(2,3)18-11(17)15-7-6-14-10-5-4-9(13)8-16-10/h4-5,8H,6-7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyXZPOTHAJPOVILC-UHFFFAOYSA-N
XLogP2.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate
CID 124909096
tert-butyl N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 112639562
tert-butyl N-[2-[(6-bromo-3-pyridinyl)amino]ethyl]carbamate
CID 103949623
tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
CID 103894808
tert-butyl N-[2-[[5-(3,3-dimethylbutan-2-ylcarbamothioylamino)-2-pyridinyl]amino]ethyl]carbamate
CID 10386028
tert-butyl N-[3-[(6-fluoro-3-pyridinyl)amino]propyl]carbamate
CID 107095376
4-[(5-fluoro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 130561119
tert-butyl N-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 177054913
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
CID 71089085
tert-butyl N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]carbamate
CID 115695358
methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate
CID 61312351
tert-butyl N-[2-(2-amino-5-fluoroanilino)ethyl]carbamate
CID 114518011

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate (CID 114518182) is tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1ccc(F)cn1.
What is the InChIKey of tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate?
The InChIKey is XZPOTHAJPOVILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-12(2,3)18-11(17)15-7-6-14-10-5-4-9(13)8-16-10/h4-5,8H,6-7H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate has a molecular weight of 255.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate is sourced from PubChem (CID 114518182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).