tert-butyl N-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)carbamate

C14H20FN3O2 — CID 46318147

IUPACtert-butyl N-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2CCCC2)nc1F
InChIInChI=1S/C14H20FN3O2/c1-14(2,3)20-13(19)16-10-6-7-11(17-12(10)15)18-8-4-5-9-18/h6-7H,4-5,8-9H2,1-3H3,(H,16,19)
InChIKeyXVIDVJUZWMFDGP-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.17
Rot. Bonds2

About tert-butyl N-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)carbamate

tert-butyl N-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)carbamate (PubChem CID 46318147) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)carbamate
PubChem CID46318147
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Nametert-butyl N-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2CCCC2)nc1F
InChIInChI=1S/C14H20FN3O2/c1-14(2,3)20-13(19)16-10-6-7-11(17-12(10)15)18-8-4-5-9-18/h6-7H,4-5,8-9H2,1-3H3,(H,16,19)
InChIKeyXVIDVJUZWMFDGP-UHFFFAOYSA-N
XLogP3.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)carbamate (CID 46318147) is tert-butyl N-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(N2CCCC2)nc1F.
What is the InChIKey of tert-butyl N-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)carbamate?
The InChIKey is XVIDVJUZWMFDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-14(2,3)20-13(19)16-10-6-7-11(17-12(10)15)18-8-4-5-9-18/h6-7H,4-5,8-9H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)carbamate?
tert-butyl N-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)carbamate has a molecular weight of 281.33 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)carbamate is sourced from PubChem (CID 46318147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).