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

C16H29N5O — CID 154661046

IUPACethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine
SMILESC1CCNC1.CC.CC.CNc1ccc(-c2ncon2)cn1
InChIInChI=1S/C8H8N4O.C4H9N.2C2H6/c1-9-7-3-2-6(4-10-7)8-11-5-13-12-8;1-2-4-5-3-1;2*1-2/h2-5H,1H3,(H,9,10);5H,1-4H2;2*1-2H3
InChIKeyMLHANBHEJTZXNX-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.60
Rot. Bonds2

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

ethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine (PubChem CID 154661046) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is ethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine.

Molecular Properties

Compound Nameethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine
PubChem CID154661046
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Nameethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine
SMILESC1CCNC1.CC.CC.CNc1ccc(-c2ncon2)cn1
InChIInChI=1S/C8H8N4O.C4H9N.2C2H6/c1-9-7-3-2-6(4-10-7)8-11-5-13-12-8;1-2-4-5-3-1;2*1-2/h2-5H,1H3,(H,9,10);5H,1-4H2;2*1-2H3
InChIKeyMLHANBHEJTZXNX-UHFFFAOYSA-N
XLogP3.60
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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;pyrrolidine?
The IUPAC name of ethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine (CID 154661046) is ethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine.
What is the SMILES notation for ethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine?
The canonical SMILES for ethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine is C1CCNC1.CC.CC.CNc1ccc(-c2ncon2)cn1.
What is the InChIKey of ethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine?
The InChIKey is MLHANBHEJTZXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O.C4H9N.2C2H6/c1-9-7-3-2-6(4-10-7)8-11-5-13-12-8;1-2-4-5-3-1;2*1-2/h2-5H,1H3,(H,9,10);5H,1-4H2;2*1-2H3.
What are the key properties of ethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine?
ethane;N-methyl-5-(1,2,4-oxadiazol-3-yl)pyridin-2-amine;pyrrolidine has a molecular weight of 307.44 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 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;pyrrolidine is sourced from PubChem (CID 154661046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).