2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide

C12H17N3O3 — CID 80638047

IUPAC2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1ccc(C=O)cn1
InChIInChI=1S/C12H17N3O3/c1-15(8-12(17)13-5-6-18-2)11-4-3-10(9-16)7-14-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,17)
InChIKeyQOSMQJLASPQQCO-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.09
Rot. Bonds7

About 2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide

2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 80638047) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID80638047
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1ccc(C=O)cn1
InChIInChI=1S/C12H17N3O3/c1-15(8-12(17)13-5-6-18-2)11-4-3-10(9-16)7-14-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,17)
InChIKeyQOSMQJLASPQQCO-UHFFFAOYSA-N
XLogP0.09
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54989562
N-(2-methoxyethyl)-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80632056
2-[(5-formyl-2-pyridinyl)-methylamino]-N-methylacetamide
CID 80637307
2-[(5-aminopyrazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80652005
2-[(5-formyl-2-pyridinyl)-methylamino]acetamide
CID 80637138
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 61343893
methyl 3-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]propanoate
CID 47363961
N-(2-methoxyethyl)-2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80806380
5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid
CID 122052812
6-[ethyl(methyl)amino]pyridine-3-carbaldehyde
CID 76848692
2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 64587464
2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 103963088

Frequently Asked Questions

What is the IUPAC name of 2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide (CID 80638047) is 2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)c1ccc(C=O)cn1.
What is the InChIKey of 2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is QOSMQJLASPQQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15(8-12(17)13-5-6-18-2)11-4-3-10(9-16)7-14-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,17).
What are the key properties of 2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 251.29 g/mol, XLogP of 0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 80638047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).