4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide

C21H26N4O3 — CID 172666990

About 4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide

4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide (PubChem CID 172666990) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
• PubChem CID: 172666990
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: 4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
• SMILES: CNC(=O)Cc1cccc(NC(=O)c2c(C)ccn(C3CCNCC3)c2=O)c1
• InChI: InChI=1S/C21H26N4O3/c1-14-8-11-25(17-6-9-23-10-7-17)21(28)19(14)20(27)24-16-5-3-4-15(12-16)13-18(26)22-2/h3-5,8,11-12,17,23H,6-7,9-10,13H2,1-2H3,(H,22,26)(H,24,27)
• InChIKey: FENPZVHIRVGONM-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 92.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?

The IUPAC name of 4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide (CID 172666990) is 4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide.

What is the SMILES notation for 4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?

The canonical SMILES for 4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide is CNC(=O)Cc1cccc(NC(=O)c2c(C)ccn(C3CCNCC3)c2=O)c1.

What is the InChIKey of 4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?

The InChIKey is FENPZVHIRVGONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-8-11-25(17-6-9-23-10-7-17)21(28)19(14)20(27)24-16-5-3-4-15(12-16)13-18(26)22-2/h3-5,8,11-12,17,23H,6-7,9-10,13H2,1-2H3,(H,22,26)(H,24,27).

What are the key properties of 4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?

4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 172666990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).