N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(2-methoxyethoxy)acetamide

C13H21N3O3 — CID 47031078

IUPACN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCc1ccc(N(C)C)nc1
InChIInChI=1S/C13H21N3O3/c1-16(2)12-5-4-11(8-14-12)9-15-13(17)10-19-7-6-18-3/h4-5,8H,6-7,9-10H2,1-3H3,(H,15,17)
InChIKeySBXJGUJSOBSBLQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.43
Rot. Bonds8

About N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(2-methoxyethoxy)acetamide

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 47031078) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(2-methoxyethoxy)acetamide
PubChem CID47031078
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCc1ccc(N(C)C)nc1
InChIInChI=1S/C13H21N3O3/c1-16(2)12-5-4-11(8-14-12)9-15-13(17)10-19-7-6-18-3/h4-5,8H,6-7,9-10H2,1-3H3,(H,15,17)
InChIKeySBXJGUJSOBSBLQ-UHFFFAOYSA-N
XLogP0.43
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(2-methoxyethoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(2-methoxyethoxy)acetamide (CID 47031078) is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NCc1ccc(N(C)C)nc1.
What is the InChIKey of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is SBXJGUJSOBSBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-16(2)12-5-4-11(8-14-12)9-15-13(17)10-19-7-6-18-3/h4-5,8H,6-7,9-10H2,1-3H3,(H,15,17).
What are the key properties of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(2-methoxyethoxy)acetamide?
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 47031078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).