N-[6-(aminooxymethyl)-2-pyridinyl]-3,3-dimethoxy-2,2-dimethylpropanamide

C13H21N3O4 — CID 89349742

IUPACN-[6-(aminooxymethyl)-2-pyridinyl]-3,3-dimethoxy-2,2-dimethylpropanamide
SMILESCOC(OC)C(C)(C)C(=O)Nc1cccc(CON)n1
InChIInChI=1S/C13H21N3O4/c1-13(2,12(18-3)19-4)11(17)16-10-7-5-6-9(15-10)8-20-14/h5-7,12H,8,14H2,1-4H3,(H,15,16,17)
InChIKeyPIGUFTMWJPWSAS-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.06
Rot. Bonds7

About N-[6-(aminooxymethyl)-2-pyridinyl]-3,3-dimethoxy-2,2-dimethylpropanamide

N-[6-(aminooxymethyl)-2-pyridinyl]-3,3-dimethoxy-2,2-dimethylpropanamide (PubChem CID 89349742) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[6-(aminooxymethyl)-2-pyridinyl]-3,3-dimethoxy-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-(aminooxymethyl)-2-pyridinyl]-3,3-dimethoxy-2,2-dimethylpropanamide
PubChem CID89349742
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC NameN-[6-(aminooxymethyl)-2-pyridinyl]-3,3-dimethoxy-2,2-dimethylpropanamide
SMILESCOC(OC)C(C)(C)C(=O)Nc1cccc(CON)n1
InChIInChI=1S/C13H21N3O4/c1-13(2,12(18-3)19-4)11(17)16-10-7-5-6-9(15-10)8-20-14/h5-7,12H,8,14H2,1-4H3,(H,15,16,17)
InChIKeyPIGUFTMWJPWSAS-UHFFFAOYSA-N
XLogP1.06
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(aminooxymethyl)-2-pyridinyl]-3,3-dimethoxy-2,2-dimethylpropanamide?
The IUPAC name of N-[6-(aminooxymethyl)-2-pyridinyl]-3,3-dimethoxy-2,2-dimethylpropanamide (CID 89349742) is N-[6-(aminooxymethyl)-2-pyridinyl]-3,3-dimethoxy-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-(aminooxymethyl)-2-pyridinyl]-3,3-dimethoxy-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-(aminooxymethyl)-2-pyridinyl]-3,3-dimethoxy-2,2-dimethylpropanamide is COC(OC)C(C)(C)C(=O)Nc1cccc(CON)n1.
What is the InChIKey of N-[6-(aminooxymethyl)-2-pyridinyl]-3,3-dimethoxy-2,2-dimethylpropanamide?
The InChIKey is PIGUFTMWJPWSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-13(2,12(18-3)19-4)11(17)16-10-7-5-6-9(15-10)8-20-14/h5-7,12H,8,14H2,1-4H3,(H,15,16,17).
What are the key properties of N-[6-(aminooxymethyl)-2-pyridinyl]-3,3-dimethoxy-2,2-dimethylpropanamide?
N-[6-(aminooxymethyl)-2-pyridinyl]-3,3-dimethoxy-2,2-dimethylpropanamide has a molecular weight of 283.33 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(aminooxymethyl)-2-pyridinyl]-3,3-dimethoxy-2,2-dimethylpropanamide is sourced from PubChem (CID 89349742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).