N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide

C21H25N5O3 — CID 172658647

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 172658647) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
• PubChem CID: 172658647
• Molecular Formula: C21H25N5O3
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.20
• IUPAC Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
• SMILES: Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)N(C)Cc1ccc2nonc2c1
• InChI: InChI=1S/C21H25N5O3/c1-14-7-9-26(13-16-4-3-8-22-11-16)21(28)19(14)20(27)25(2)12-15-5-6-17-18(10-15)24-29-23-17/h5-7,9-10,16,22H,3-4,8,11-13H2,1-2H3
• InChIKey: JPVRBGGOYHEEOE-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 93.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?

The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (CID 172658647) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.

What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?

The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)N(C)Cc1ccc2nonc2c1.

What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?

The InChIKey is JPVRBGGOYHEEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-7-9-26(13-16-4-3-8-22-11-16)21(28)19(14)20(27)25(2)12-15-5-6-17-18(10-15)24-29-23-17/h5-7,9-10,16,22H,3-4,8,11-13H2,1-2H3.

What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?

N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172658647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).