tert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate

C16H24N2O4 — CID 137450650

IUPACtert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn(CC2CCCCO2)c1=O
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(20)17-13-8-6-9-18(14(13)19)11-12-7-4-5-10-21-12/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,17,20)
InChIKeyQJOVMZYKDGJBDY-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.76
Rot. Bonds3

About tert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate (PubChem CID 137450650) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate
PubChem CID137450650
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn(CC2CCCCO2)c1=O
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(20)17-13-8-6-9-18(14(13)19)11-12-7-4-5-10-21-12/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,17,20)
InChIKeyQJOVMZYKDGJBDY-UHFFFAOYSA-N
XLogP2.76
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate (CID 137450650) is tert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccn(CC2CCCCO2)c1=O.
What is the InChIKey of tert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate?
The InChIKey is QJOVMZYKDGJBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2,3)22-15(20)17-13-8-6-9-18(14(13)19)11-12-7-4-5-10-21-12/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137450650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).