tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate

C15H23N3O3 — CID 67025080

IUPACtert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(CN2CCOCC2)n1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)17-13-6-4-5-12(16-13)11-18-7-9-20-10-8-18/h4-6H,7-11H2,1-3H3,(H,16,17,19)
InChIKeyIQZIUFPWZRAOEK-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.26
Rot. Bonds3

About tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate

tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate (PubChem CID 67025080) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
PubChem CID67025080
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(CN2CCOCC2)n1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)17-13-6-4-5-12(16-13)11-18-7-9-20-10-8-18/h4-6H,7-11H2,1-3H3,(H,16,17,19)
InChIKeyIQZIUFPWZRAOEK-UHFFFAOYSA-N
XLogP2.26
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.26
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-ylmethyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate (CID 67025080) is tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(CN2CCOCC2)n1.
What is the InChIKey of tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate?
The InChIKey is IQZIUFPWZRAOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)17-13-6-4-5-12(16-13)11-18-7-9-20-10-8-18/h4-6H,7-11H2,1-3H3,(H,16,17,19).
What are the key properties of tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate?
tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate has a molecular weight of 293.37 g/mol, XLogP of 2.26, 3 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-ylmethyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 67025080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).