tert-butyl N-(6-morpholin-4-yl-2-pyridinyl)carbamate

C14H21N3O3 — CID 58796375

IUPACtert-butyl N-(6-morpholin-4-yl-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(N2CCOCC2)n1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)16-11-5-4-6-12(15-11)17-7-9-19-10-8-17/h4-6H,7-10H2,1-3H3,(H,15,16,18)
InChIKeyZEAJKARTUJIDDX-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.27
Rot. Bonds2

About tert-butyl N-(6-morpholin-4-yl-2-pyridinyl)carbamate

tert-butyl N-(6-morpholin-4-yl-2-pyridinyl)carbamate (PubChem CID 58796375) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-(6-morpholin-4-yl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-morpholin-4-yl-2-pyridinyl)carbamate
PubChem CID58796375
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl N-(6-morpholin-4-yl-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(N2CCOCC2)n1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)16-11-5-4-6-12(15-11)17-7-9-19-10-8-17/h4-6H,7-10H2,1-3H3,(H,15,16,18)
InChIKeyZEAJKARTUJIDDX-UHFFFAOYSA-N
XLogP2.27
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-morpholin-4-yl-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(6-morpholin-4-yl-2-pyridinyl)carbamate (CID 58796375) is tert-butyl N-(6-morpholin-4-yl-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-morpholin-4-yl-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(6-morpholin-4-yl-2-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1cccc(N2CCOCC2)n1.
What is the InChIKey of tert-butyl N-(6-morpholin-4-yl-2-pyridinyl)carbamate?
The InChIKey is ZEAJKARTUJIDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)16-11-5-4-6-12(15-11)17-7-9-19-10-8-17/h4-6H,7-10H2,1-3H3,(H,15,16,18).
What are the key properties of tert-butyl N-(6-morpholin-4-yl-2-pyridinyl)carbamate?
tert-butyl N-(6-morpholin-4-yl-2-pyridinyl)carbamate has a molecular weight of 279.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-morpholin-4-yl-2-pyridinyl)carbamate is sourced from PubChem (CID 58796375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).