N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine

C12H17N5O — CID 154661099

IUPACN-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine
SMILESC1CCNC1.CNc1ccc(-c2ncon2)cn1
InChIInChI=1S/C8H8N4O.C4H9N/c1-9-7-3-2-6(4-10-7)8-11-5-13-12-8;1-2-4-5-3-1/h2-5H,1H3,(H,9,10);5H,1-4H2
InChIKeyJGVPORTYBKDSKX-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.54
Rot. Bonds2

About N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine

N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine (PubChem CID 154661099) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine.

Molecular Properties

Compound NameN-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine
PubChem CID154661099
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine
SMILESC1CCNC1.CNc1ccc(-c2ncon2)cn1
InChIInChI=1S/C8H8N4O.C4H9N/c1-9-7-3-2-6(4-10-7)8-11-5-13-12-8;1-2-4-5-3-1/h2-5H,1H3,(H,9,10);5H,1-4H2
InChIKeyJGVPORTYBKDSKX-UHFFFAOYSA-N
XLogP1.54
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine?
The IUPAC name of N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine (CID 154661099) is N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine.
What is the SMILES notation for N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine?
The canonical SMILES for N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine is C1CCNC1.CNc1ccc(-c2ncon2)cn1.
What is the InChIKey of N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine?
The InChIKey is JGVPORTYBKDSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O.C4H9N/c1-9-7-3-2-6(4-10-7)8-11-5-13-12-8;1-2-4-5-3-1/h2-5H,1H3,(H,9,10);5H,1-4H2.
What are the key properties of N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine?
N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine has a molecular weight of 247.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine is sourced from PubChem (CID 154661099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).