tert-butyl N-methyl-N-(1-methyl-6-oxo-3-pyridinyl)carbamate

C12H18N2O3 — CID 122647571

IUPACtert-butyl N-methyl-N-(1-methyl-6-oxo-3-pyridinyl)carbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc(=O)n(C)c1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14(5)9-6-7-10(15)13(4)8-9/h6-8H,1-5H3
InChIKeyOLMRWVPOTBGMED-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.76
Rot. Bonds1

About tert-butyl N-methyl-N-(1-methyl-6-oxo-3-pyridinyl)carbamate

tert-butyl N-methyl-N-(1-methyl-6-oxo-3-pyridinyl)carbamate (PubChem CID 122647571) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1-methyl-6-oxo-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1-methyl-6-oxo-3-pyridinyl)carbamate
PubChem CID122647571
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl N-methyl-N-(1-methyl-6-oxo-3-pyridinyl)carbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc(=O)n(C)c1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14(5)9-6-7-10(15)13(4)8-9/h6-8H,1-5H3
InChIKeyOLMRWVPOTBGMED-UHFFFAOYSA-N
XLogP1.76
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1-methyl-6-oxo-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1-methyl-6-oxo-3-pyridinyl)carbamate (CID 122647571) is tert-butyl N-methyl-N-(1-methyl-6-oxo-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1-methyl-6-oxo-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1-methyl-6-oxo-3-pyridinyl)carbamate is CN(C(=O)OC(C)(C)C)c1ccc(=O)n(C)c1.
What is the InChIKey of tert-butyl N-methyl-N-(1-methyl-6-oxo-3-pyridinyl)carbamate?
The InChIKey is OLMRWVPOTBGMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14(5)9-6-7-10(15)13(4)8-9/h6-8H,1-5H3.
What are the key properties of tert-butyl N-methyl-N-(1-methyl-6-oxo-3-pyridinyl)carbamate?
tert-butyl N-methyl-N-(1-methyl-6-oxo-3-pyridinyl)carbamate has a molecular weight of 238.29 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(1-methyl-6-oxo-3-pyridinyl)carbamate is sourced from PubChem (CID 122647571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).