N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide

C21H26N6O3 — CID 122326109

About N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide

N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide (PubChem CID 122326109) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide
• PubChem CID: 122326109
• Molecular Formula: C21H26N6O3
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.21
• IUPAC Name: N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide
• SMILES: Cc1cc(Nc2ccc(NC(=O)C3CCC(=O)NC3)cc2)nc(N2CCOCC2)n1
• InChI: InChI=1S/C21H26N6O3/c1-14-12-18(26-21(23-14)27-8-10-30-11-9-27)24-16-3-5-17(6-4-16)25-20(29)15-2-7-19(28)22-13-15/h3-6,12,15H,2,7-11,13H2,1H3,(H,22,28)(H,25,29)(H,23,24,26)
• InChIKey: GIPQBUKCZPLCNG-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 108.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide?

The IUPAC name of N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide (CID 122326109) is N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide.

What is the SMILES notation for N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide?

The canonical SMILES for N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide is Cc1cc(Nc2ccc(NC(=O)C3CCC(=O)NC3)cc2)nc(N2CCOCC2)n1.

What is the InChIKey of N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide?

The InChIKey is GIPQBUKCZPLCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-14-12-18(26-21(23-14)27-8-10-30-11-9-27)24-16-3-5-17(6-4-16)25-20(29)15-2-7-19(28)22-13-15/h3-6,12,15H,2,7-11,13H2,1H3,(H,22,28)(H,25,29)(H,23,24,26).

What are the key properties of N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide?

N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 122326109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).