tert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate

C14H22N4O2 — CID 69045153

IUPACtert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)N(c1ccncc1N)C1CCNC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18(10-4-6-16-8-10)12-5-7-17-9-11(12)15/h5,7,9-10,16H,4,6,8,15H2,1-3H3
InChIKeyYMJVTJIUHYSRIR-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.77
Rot. Bonds2

About tert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate

tert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate (PubChem CID 69045153) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is tert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate
PubChem CID69045153
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nametert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)N(c1ccncc1N)C1CCNC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18(10-4-6-16-8-10)12-5-7-17-9-11(12)15/h5,7,9-10,16H,4,6,8,15H2,1-3H3
InChIKeyYMJVTJIUHYSRIR-UHFFFAOYSA-N
XLogP1.77
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate?
The IUPAC name of tert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate (CID 69045153) is tert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate.
What is the SMILES notation for tert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate?
The canonical SMILES for tert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate is CC(C)(C)OC(=O)N(c1ccncc1N)C1CCNC1.
What is the InChIKey of tert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate?
The InChIKey is YMJVTJIUHYSRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18(10-4-6-16-8-10)12-5-7-17-9-11(12)15/h5,7,9-10,16H,4,6,8,15H2,1-3H3.
What are the key properties of tert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate?
tert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate has a molecular weight of 278.36 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate is sourced from PubChem (CID 69045153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).