tert-butyl N-[6-(dimethylamino)-2-pyridinyl]carbamate

C12H19N3O2 — CID 54350832

IUPACtert-butyl N-[6-(dimethylamino)-2-pyridinyl]carbamate
SMILESCN(C)c1cccc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)14-9-7-6-8-10(13-9)15(4)5/h6-8H,1-5H3,(H,13,14,16)
InChIKeyUFPWGJADRMCICR-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.49
Rot. Bonds2

About tert-butyl N-[6-(dimethylamino)-2-pyridinyl]carbamate

tert-butyl N-[6-(dimethylamino)-2-pyridinyl]carbamate (PubChem CID 54350832) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[6-(dimethylamino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(dimethylamino)-2-pyridinyl]carbamate
PubChem CID54350832
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-[6-(dimethylamino)-2-pyridinyl]carbamate
SMILESCN(C)c1cccc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)14-9-7-6-8-10(13-9)15(4)5/h6-8H,1-5H3,(H,13,14,16)
InChIKeyUFPWGJADRMCICR-UHFFFAOYSA-N
XLogP2.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(dimethylamino)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(dimethylamino)-2-pyridinyl]carbamate (CID 54350832) is tert-butyl N-[6-(dimethylamino)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(dimethylamino)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(dimethylamino)-2-pyridinyl]carbamate is CN(C)c1cccc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[6-(dimethylamino)-2-pyridinyl]carbamate?
The InChIKey is UFPWGJADRMCICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)14-9-7-6-8-10(13-9)15(4)5/h6-8H,1-5H3,(H,13,14,16).
What are the key properties of tert-butyl N-[6-(dimethylamino)-2-pyridinyl]carbamate?
tert-butyl N-[6-(dimethylamino)-2-pyridinyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(dimethylamino)-2-pyridinyl]carbamate is sourced from PubChem (CID 54350832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).