5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide

C20H30N4O3 — CID 56887081

About 5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide

5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56887081) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 56887081
• Molecular Formula: C20H30N4O3
• Molecular Weight: 374.49 g/mol
• Exact Mass: 374.23
• IUPAC Name: 5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
• SMILES: CC(=O)c1cc(C(=O)NC2CCCN(C3CCN(C)CC3)C2)c(=O)[nH]c1C
• InChI: InChI=1S/C20H30N4O3/c1-13-17(14(2)25)11-18(19(26)21-13)20(27)22-15-5-4-8-24(12-15)16-6-9-23(3)10-7-16/h11,15-16H,4-10,12H2,1-3H3,(H,21,26)(H,22,27)
• InChIKey: HXHKEOAGBIDLJV-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 85.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.49
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of 5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 56887081) is 5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for 5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for 5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide is CC(=O)c1cc(C(=O)NC2CCCN(C3CCN(C)CC3)C2)c(=O)[nH]c1C.

What is the InChIKey of 5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide?

The InChIKey is HXHKEOAGBIDLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-13-17(14(2)25)11-18(19(26)21-13)20(27)22-15-5-4-8-24(12-15)16-6-9-23(3)10-7-16/h11,15-16H,4-10,12H2,1-3H3,(H,21,26)(H,22,27).

What are the key properties of 5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide?

5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56887081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).