2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C13H18N4O — CID 65221932

IUPAC2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCC(CN)c1nc(-c2cccc(C)n2)no1
InChIInChI=1S/C13H18N4O/c1-3-5-10(8-14)13-16-12(17-18-13)11-7-4-6-9(2)15-11/h4,6-7,10H,3,5,8,14H2,1-2H3
InChIKeySBQHURWVVJSQNI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.28
Rot. Bonds5

About 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 65221932) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID65221932
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCC(CN)c1nc(-c2cccc(C)n2)no1
InChIInChI=1S/C13H18N4O/c1-3-5-10(8-14)13-16-12(17-18-13)11-7-4-6-9(2)15-11/h4,6-7,10H,3,5,8,14H2,1-2H3
InChIKeySBQHURWVVJSQNI-UHFFFAOYSA-N
XLogP2.28
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 65221932) is 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCCC(CN)c1nc(-c2cccc(C)n2)no1.
What is the InChIKey of 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is SBQHURWVVJSQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-5-10(8-14)13-16-12(17-18-13)11-7-4-6-9(2)15-11/h4,6-7,10H,3,5,8,14H2,1-2H3.
What are the key properties of 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 246.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 65221932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).