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

C17H28N6O — CID 154660766

IUPACethane;N-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.CC.CNc1ccc(-c2ncon2)cn1
InChIInChI=1S/C8H8N4O.C7H14N2.C2H6/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;1-2/h2-5H,1H3,(H,9,10);2H,3-6,8H2,1H3;1-2H3/b;7-2-;
InChIKeyZAOLPNZPHNDRNV-CCHKDHDQSA-N
MW332.45 g/mol
LogP3.10
Rot. Bonds3

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

ethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine (PubChem CID 154660766) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is ethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine
PubChem CID154660766
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Nameethane;N-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.CC.CNc1ccc(-c2ncon2)cn1
InChIInChI=1S/C8H8N4O.C7H14N2.C2H6/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;1-2/h2-5H,1H3,(H,9,10);2H,3-6,8H2,1H3;1-2H3/b;7-2-;
InChIKeyZAOLPNZPHNDRNV-CCHKDHDQSA-N
XLogP3.10
TPSA93.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethane;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 ethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine (CID 154660766) is ethane;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 ethane;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 ethane;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.CC.CNc1ccc(-c2ncon2)cn1.
What is the InChIKey of ethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine?
The InChIKey is ZAOLPNZPHNDRNV-CCHKDHDQSA-N. The full InChI is InChI=1S/C8H8N4O.C7H14N2.C2H6/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;1-2/h2-5H,1H3,(H,9,10);2H,3-6,8H2,1H3;1-2H3/b;7-2-;.
What are the key properties of ethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;(Z)-1-pyrrolidin-1-ylprop-1-en-1-amine?
ethane;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 332.45 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;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 154660766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).