tert-butyl N-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]carbamate

C13H20N2O3 — CID 139516943

IUPACtert-butyl N-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]carbamate
SMILESCc1cccc(=O)n1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O3/c1-10-6-5-7-11(16)15(10)9-8-14-12(17)18-13(2,3)4/h5-7H,8-9H2,1-4H3,(H,14,17)
InChIKeyHBDVRGYAMJZXME-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.68
Rot. Bonds3

About tert-butyl N-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]carbamate

tert-butyl N-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]carbamate (PubChem CID 139516943) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]carbamate
PubChem CID139516943
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nametert-butyl N-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]carbamate
SMILESCc1cccc(=O)n1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O3/c1-10-6-5-7-11(16)15(10)9-8-14-12(17)18-13(2,3)4/h5-7H,8-9H2,1-4H3,(H,14,17)
InChIKeyHBDVRGYAMJZXME-UHFFFAOYSA-N
XLogP1.68
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]carbamate (CID 139516943) is tert-butyl N-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]carbamate is Cc1cccc(=O)n1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]carbamate?
The InChIKey is HBDVRGYAMJZXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-6-5-7-11(16)15(10)9-8-14-12(17)18-13(2,3)4/h5-7H,8-9H2,1-4H3,(H,14,17).
What are the key properties of tert-butyl N-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]carbamate?
tert-butyl N-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]carbamate has a molecular weight of 252.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]carbamate is sourced from PubChem (CID 139516943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).