N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine

C11H14N4O — CID 106754029

IUPACN-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1noc(-c2ccnc(C)c2)n1
InChIInChI=1S/C11H14N4O/c1-8-7-9(3-6-13-8)11-14-10(15-16-11)4-5-12-2/h3,6-7,12H,4-5H2,1-2H3
InChIKeyUEVHLEXKFYDUTQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.20
Rot. Bonds4

About N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine

N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 106754029) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID106754029
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1noc(-c2ccnc(C)c2)n1
InChIInChI=1S/C11H14N4O/c1-8-7-9(3-6-13-8)11-14-10(15-16-11)4-5-12-2/h3,6-7,12H,4-5H2,1-2H3
InChIKeyUEVHLEXKFYDUTQ-UHFFFAOYSA-N
XLogP1.20
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 106754029) is N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine is CNCCc1noc(-c2ccnc(C)c2)n1.
What is the InChIKey of N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is UEVHLEXKFYDUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-7-9(3-6-13-8)11-14-10(15-16-11)4-5-12-2/h3,6-7,12H,4-5H2,1-2H3.
What are the key properties of N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine?
N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 218.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 106754029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).