1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine

C16H16N6O — CID 56769900

IUPAC1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
SMILESNC1CCN(c2ccc(-c3nc(-c4cccnc4)no3)cn2)C1
InChIInChI=1S/C16H16N6O/c17-13-5-7-22(10-13)14-4-3-12(9-19-14)16-20-15(21-23-16)11-2-1-6-18-8-11/h1-4,6,8-9,13H,5,7,10,17H2
InChIKeyOMZBBEDYLKKTIT-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.73
Rot. Bonds3

About 1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine

1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine (PubChem CID 56769900) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
PubChem CID56769900
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Name1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
SMILESNC1CCN(c2ccc(-c3nc(-c4cccnc4)no3)cn2)C1
InChIInChI=1S/C16H16N6O/c17-13-5-7-22(10-13)14-4-3-12(9-19-14)16-20-15(21-23-16)11-2-1-6-18-8-11/h1-4,6,8-9,13H,5,7,10,17H2
InChIKeyOMZBBEDYLKKTIT-UHFFFAOYSA-N
XLogP1.73
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine?
The IUPAC name of 1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine (CID 56769900) is 1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine is NC1CCN(c2ccc(-c3nc(-c4cccnc4)no3)cn2)C1.
What is the InChIKey of 1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine?
The InChIKey is OMZBBEDYLKKTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c17-13-5-7-22(10-13)14-4-3-12(9-19-14)16-20-15(21-23-16)11-2-1-6-18-8-11/h1-4,6,8-9,13H,5,7,10,17H2.
What are the key properties of 1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine?
1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine has a molecular weight of 308.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine is sourced from PubChem (CID 56769900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).