N-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]acetamide

C10H16N4O2 — CID 22141704

IUPACN-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]acetamide
SMILESCOc1ccc(N)c(NCCNC(C)=O)n1
InChIInChI=1S/C10H16N4O2/c1-7(15)12-5-6-13-10-8(11)3-4-9(14-10)16-2/h3-4H,5-6,11H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyLXQCDXOLWBMYTG-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.22
Rot. Bonds5

About N-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]acetamide

N-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]acetamide (PubChem CID 22141704) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]acetamide
PubChem CID22141704
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]acetamide
SMILESCOc1ccc(N)c(NCCNC(C)=O)n1
InChIInChI=1S/C10H16N4O2/c1-7(15)12-5-6-13-10-8(11)3-4-9(14-10)16-2/h3-4H,5-6,11H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyLXQCDXOLWBMYTG-UHFFFAOYSA-N
XLogP0.22
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]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-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]acetamide (CID 22141704) is N-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]acetamide is COc1ccc(N)c(NCCNC(C)=O)n1.
What is the InChIKey of N-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]acetamide?
The InChIKey is LXQCDXOLWBMYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7(15)12-5-6-13-10-8(11)3-4-9(14-10)16-2/h3-4H,5-6,11H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]acetamide?
N-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]acetamide has a molecular weight of 224.26 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]acetamide is sourced from PubChem (CID 22141704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).