tert-butyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate

C13H20N2O3 — CID 75466119

IUPACtert-butyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
SMILESCc1cc(C)c(CNC(=O)OC(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C13H20N2O3/c1-8-6-9(2)15-11(16)10(8)7-14-12(17)18-13(3,4)5/h6H,7H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyWBJWUUNRPOSCGB-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.02
Rot. Bonds2

About tert-butyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate

tert-butyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate (PubChem CID 75466119) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is tert-butyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
PubChem CID75466119
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nametert-butyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
SMILESCc1cc(C)c(CNC(=O)OC(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C13H20N2O3/c1-8-6-9(2)15-11(16)10(8)7-14-12(17)18-13(3,4)5/h6H,7H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyWBJWUUNRPOSCGB-UHFFFAOYSA-N
XLogP2.02
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate (CID 75466119) is tert-butyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate is Cc1cc(C)c(CNC(=O)OC(C)(C)C)c(=O)[nH]1.
What is the InChIKey of tert-butyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate?
The InChIKey is WBJWUUNRPOSCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8-6-9(2)15-11(16)10(8)7-14-12(17)18-13(3,4)5/h6H,7H2,1-5H3,(H,14,17)(H,15,16).
What are the key properties of tert-butyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate?
tert-butyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate has a molecular weight of 252.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate is sourced from PubChem (CID 75466119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).