N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine

C15H22N6O — CID 154660740

IUPACN-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine
SMILESC/C=C(/N)N1CCCC1.CNc1ccc(-c2ncon2)cn1
InChIInChI=1S/C8H8N4O.C7H14N2/c1-9-7-3-2-6(4-10-7)8-11-5-13-12-8;1-2-7(8)9-5-3-4-6-9/h2-5H,1H3,(H,9,10);2H,3-6,8H2,1H3/b;7-2-
InChIKeyZWPFRCKNMOZDEF-XNSQJYHGSA-N
MW302.38 g/mol
LogP2.08
Rot. Bonds3

About N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine

N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine (PubChem CID 154660740) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine.

Molecular Properties

Compound NameN-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine
PubChem CID154660740
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine
SMILESC/C=C(/N)N1CCCC1.CNc1ccc(-c2ncon2)cn1
InChIInChI=1S/C8H8N4O.C7H14N2/c1-9-7-3-2-6(4-10-7)8-11-5-13-12-8;1-2-7(8)9-5-3-4-6-9/h2-5H,1H3,(H,9,10);2H,3-6,8H2,1H3/b;7-2-
InChIKeyZWPFRCKNMOZDEF-XNSQJYHGSA-N
XLogP2.08
TPSA93.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine?
The IUPAC name of N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine (CID 154660740) is N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine.
What is the SMILES notation for N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine?
The canonical SMILES for N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine is C/C=C(/N)N1CCCC1.CNc1ccc(-c2ncon2)cn1.
What is the InChIKey of N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine?
The InChIKey is ZWPFRCKNMOZDEF-XNSQJYHGSA-N. The full InChI is InChI=1S/C8H8N4O.C7H14N2/c1-9-7-3-2-6(4-10-7)8-11-5-13-12-8;1-2-7(8)9-5-3-4-6-9/h2-5H,1H3,(H,9,10);2H,3-6,8H2,1H3/b;7-2-.
What are the key properties of N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine?
N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine has a molecular weight of 302.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine is sourced from PubChem (CID 154660740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).