[6-(dimethylcarbamoyl)-3-pyridinyl] carbamate

C9H11N3O3 — CID 150452419

IUPAC[6-(dimethylcarbamoyl)-3-pyridinyl] carbamate
SMILESCN(C)C(=O)c1ccc(OC(N)=O)cn1
InChIInChI=1S/C9H11N3O3/c1-12(2)8(13)7-4-3-6(5-11-7)15-9(10)14/h3-5H,1-2H3,(H2,10,14)
InChIKeyHOBUATNEDMUART-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.24
Rot. Bonds2

About [6-(dimethylcarbamoyl)-3-pyridinyl] carbamate

[6-(dimethylcarbamoyl)-3-pyridinyl] carbamate (PubChem CID 150452419) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is [6-(dimethylcarbamoyl)-3-pyridinyl] carbamate.

Molecular Properties

Compound Name[6-(dimethylcarbamoyl)-3-pyridinyl] carbamate
PubChem CID150452419
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name[6-(dimethylcarbamoyl)-3-pyridinyl] carbamate
SMILESCN(C)C(=O)c1ccc(OC(N)=O)cn1
InChIInChI=1S/C9H11N3O3/c1-12(2)8(13)7-4-3-6(5-11-7)15-9(10)14/h3-5H,1-2H3,(H2,10,14)
InChIKeyHOBUATNEDMUART-UHFFFAOYSA-N
XLogP0.24
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(dimethylcarbamoyl)-3-pyridinyl] carbamate?
The IUPAC name of [6-(dimethylcarbamoyl)-3-pyridinyl] carbamate (CID 150452419) is [6-(dimethylcarbamoyl)-3-pyridinyl] carbamate.
What is the SMILES notation for [6-(dimethylcarbamoyl)-3-pyridinyl] carbamate?
The canonical SMILES for [6-(dimethylcarbamoyl)-3-pyridinyl] carbamate is CN(C)C(=O)c1ccc(OC(N)=O)cn1.
What is the InChIKey of [6-(dimethylcarbamoyl)-3-pyridinyl] carbamate?
The InChIKey is HOBUATNEDMUART-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-12(2)8(13)7-4-3-6(5-11-7)15-9(10)14/h3-5H,1-2H3,(H2,10,14).
What are the key properties of [6-(dimethylcarbamoyl)-3-pyridinyl] carbamate?
[6-(dimethylcarbamoyl)-3-pyridinyl] carbamate has a molecular weight of 209.21 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylcarbamoyl)-3-pyridinyl] carbamate is sourced from PubChem (CID 150452419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).