tert-butyl N-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate

C16H18N2O3 — CID 122200238

IUPACtert-butyl N-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1-c1ccc(=O)[nH]c1
InChIInChI=1S/C16H18N2O3/c1-16(2,3)21-15(20)18-13-7-5-4-6-12(13)11-8-9-14(19)17-10-11/h4-10H,1-3H3,(H,17,19)(H,18,20)
InChIKeyRMUGXIBLJXLDQR-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.39
Rot. Bonds2

About tert-butyl N-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate

tert-butyl N-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate (PubChem CID 122200238) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is tert-butyl N-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate
PubChem CID122200238
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nametert-butyl N-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1-c1ccc(=O)[nH]c1
InChIInChI=1S/C16H18N2O3/c1-16(2,3)21-15(20)18-13-7-5-4-6-12(13)11-8-9-14(19)17-10-11/h4-10H,1-3H3,(H,17,19)(H,18,20)
InChIKeyRMUGXIBLJXLDQR-UHFFFAOYSA-N
XLogP3.39
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate (CID 122200238) is tert-butyl N-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1-c1ccc(=O)[nH]c1.
What is the InChIKey of tert-butyl N-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate?
The InChIKey is RMUGXIBLJXLDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(2,3)21-15(20)18-13-7-5-4-6-12(13)11-8-9-14(19)17-10-11/h4-10H,1-3H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate?
tert-butyl N-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate has a molecular weight of 286.33 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate is sourced from PubChem (CID 122200238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).