6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide

C22H31N5O3 — CID 92635382

About 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide

6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide (PubChem CID 92635382) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide
• PubChem CID: 92635382
• Molecular Formula: C22H31N5O3
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.24
• IUPAC Name: 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide
• SMILES: Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1
• InChI: InChI=1S/C22H31N5O3/c1-15(12-19-16(2)24-25(4)17(19)3)23-22(30)18-8-9-20(28)27(13-18)14-21(29)26-10-6-5-7-11-26/h8-9,13,15H,5-7,10-12,14H2,1-4H3,(H,23,30)/t15-/m1/s1
• InChIKey: XYZUIXBTVCMDEI-OAHLLOKOSA-N
• XLogP: 1.57
• TPSA: 89.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide?

The IUPAC name of 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide (CID 92635382) is 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide is Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1.

What is the InChIKey of 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide?

The InChIKey is XYZUIXBTVCMDEI-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-15(12-19-16(2)24-25(4)17(19)3)23-22(30)18-8-9-20(28)27(13-18)14-21(29)26-10-6-5-7-11-26/h8-9,13,15H,5-7,10-12,14H2,1-4H3,(H,23,30)/t15-/m1/s1.

What are the key properties of 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide?

6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 92635382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).