4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride

C21H24ClN5O4 — CID 171709894

About 4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride

4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride (PubChem CID 171709894) has the molecular formula C21H24ClN5O4 and a molecular weight of 445.91 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride
• PubChem CID: 171709894
• Molecular Formula: C21H24ClN5O4
• Molecular Weight: 445.91 g/mol
• Exact Mass: 445.15
• IUPAC Name: 4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride
• SMILES: Cc1cc(C2CCCNC2)oc(=O)c1C(=O)NCCc1nc(-c2cccnc2)no1.Cl
• InChI: InChI=1S/C21H23N5O4.ClH/c1-13-10-16(14-4-2-7-22-11-14)29-21(28)18(13)20(27)24-9-6-17-25-19(26-30-17)15-5-3-8-23-12-15;/h3,5,8,10,12,14,22H,2,4,6-7,9,11H2,1H3,(H,24,27);1H
• InChIKey: ZBPXWBRORJTMHY-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 123.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.91
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride?

The IUPAC name of 4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride (CID 171709894) is 4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride.

What is the SMILES notation for 4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride?

The canonical SMILES for 4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)NCCc1nc(-c2cccnc2)no1.Cl.

What is the InChIKey of 4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride?

The InChIKey is ZBPXWBRORJTMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4.ClH/c1-13-10-16(14-4-2-7-22-11-14)29-21(28)18(13)20(27)24-9-6-17-25-19(26-30-17)15-5-3-8-23-12-15;/h3,5,8,10,12,14,22H,2,4,6-7,9,11H2,1H3,(H,24,27);1H.

What are the key properties of 4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride?

4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride has a molecular weight of 445.91 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride is sourced from PubChem (CID 171709894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).