tert-butyl N-(6-amino-3-pyridinyl)carbamate

C10H15N3O2 — CID 45092078

IUPACtert-butyl N-(6-amino-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N)nc1
InChIInChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H2,11,12)(H,13,14)
InChIKeyJRGFHNRLNOKTEP-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.01
Rot. Bonds1

About tert-butyl N-(6-amino-3-pyridinyl)carbamate

tert-butyl N-(6-amino-3-pyridinyl)carbamate (PubChem CID 45092078) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is tert-butyl N-(6-amino-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-amino-3-pyridinyl)carbamate
PubChem CID45092078
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nametert-butyl N-(6-amino-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N)nc1
InChIInChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H2,11,12)(H,13,14)
InChIKeyJRGFHNRLNOKTEP-UHFFFAOYSA-N
XLogP2.01
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-amino-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(6-amino-3-pyridinyl)carbamate (CID 45092078) is tert-butyl N-(6-amino-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-amino-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(6-amino-3-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(N)nc1.
What is the InChIKey of tert-butyl N-(6-amino-3-pyridinyl)carbamate?
The InChIKey is JRGFHNRLNOKTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H2,11,12)(H,13,14).
What are the key properties of tert-butyl N-(6-amino-3-pyridinyl)carbamate?
tert-butyl N-(6-amino-3-pyridinyl)carbamate has a molecular weight of 209.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-amino-3-pyridinyl)carbamate is sourced from PubChem (CID 45092078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).