9-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C22H31ClN4O2 — CID 120988914

About 9-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120988914) has the molecular formula C22H31ClN4O2 and a molecular weight of 418.97 g/mol. Its IUPAC name is 9-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 9-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
• PubChem CID: 120988914
• Molecular Formula: C22H31ClN4O2
• Molecular Weight: 418.97 g/mol
• Exact Mass: 418.21
• IUPAC Name: 9-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
• SMILES: CCc1noc(-c2ccc(CCNC(=O)C3CC4CCCC(C3)C4N)cc2)n1.Cl
• InChI: InChI=1S/C22H30N4O2.ClH/c1-2-19-25-22(28-26-19)15-8-6-14(7-9-15)10-11-24-21(27)18-12-16-4-3-5-17(13-18)20(16)23;/h6-9,16-18,20H,2-5,10-13,23H2,1H3,(H,24,27);1H
• InChIKey: ILPQNGMPYBWTGX-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 94.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.97
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?

The IUPAC name of 9-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120988914) is 9-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

What is the SMILES notation for 9-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?

The canonical SMILES for 9-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CCc1noc(-c2ccc(CCNC(=O)C3CC4CCCC(C3)C4N)cc2)n1.Cl.

What is the InChIKey of 9-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?

The InChIKey is ILPQNGMPYBWTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2.ClH/c1-2-19-25-22(28-26-19)15-8-6-14(7-9-15)10-11-24-21(27)18-12-16-4-3-5-17(13-18)20(16)23;/h6-9,16-18,20H,2-5,10-13,23H2,1H3,(H,24,27);1H.

What are the key properties of 9-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?

9-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 418.97 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120988914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).