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

C15H22N2O4 — CID 137450731

IUPACtert-butyl N-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn(C2CCCOC2)c1=O
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-12-7-4-8-17(13(12)18)11-6-5-9-20-10-11/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,16,19)
InChIKeyKLQFVLAZKMWXLW-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.55
Rot. Bonds2

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

tert-butyl N-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]carbamate (PubChem CID 137450731) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]carbamate
PubChem CID137450731
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl N-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn(C2CCCOC2)c1=O
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-12-7-4-8-17(13(12)18)11-6-5-9-20-10-11/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,16,19)
InChIKeyKLQFVLAZKMWXLW-UHFFFAOYSA-N
XLogP2.55
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]carbamate (CID 137450731) is tert-butyl N-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccn(C2CCCOC2)c1=O.
What is the InChIKey of tert-butyl N-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]carbamate?
The InChIKey is KLQFVLAZKMWXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-12-7-4-8-17(13(12)18)11-6-5-9-20-10-11/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 2.55, 2 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-3-yl)-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137450731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).