6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine

C12H16N4O2 — CID 114186385

IUPAC6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
SMILESCCOc1cccc(NCCc2nc(C)no2)n1
InChIInChI=1S/C12H16N4O2/c1-3-17-11-6-4-5-10(15-11)13-8-7-12-14-9(2)16-18-12/h4-6H,3,7-8H2,1-2H3,(H,13,15)
InChIKeyCKBALHGQOISWEP-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.83
Rot. Bonds6

About 6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine

6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine (PubChem CID 114186385) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
PubChem CID114186385
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
SMILESCCOc1cccc(NCCc2nc(C)no2)n1
InChIInChI=1S/C12H16N4O2/c1-3-17-11-6-4-5-10(15-11)13-8-7-12-14-9(2)16-18-12/h4-6H,3,7-8H2,1-2H3,(H,13,15)
InChIKeyCKBALHGQOISWEP-UHFFFAOYSA-N
XLogP1.83
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine 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 6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine (CID 114186385) is 6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine is CCOc1cccc(NCCc2nc(C)no2)n1.
What is the InChIKey of 6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
The InChIKey is CKBALHGQOISWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-3-17-11-6-4-5-10(15-11)13-8-7-12-14-9(2)16-18-12/h4-6H,3,7-8H2,1-2H3,(H,13,15).
What are the key properties of 6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine has a molecular weight of 248.29 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 114186385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).