2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide

C23H23Cl2N5O — CID 121032327

About 2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide

2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide (PubChem CID 121032327) has the molecular formula C23H23Cl2N5O and a molecular weight of 456.38 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
• PubChem CID: 121032327
• Molecular Formula: C23H23Cl2N5O
• Molecular Weight: 456.38 g/mol
• Exact Mass: 455.13
• IUPAC Name: 2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
• SMILES: Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)n1
• InChI: InChI=1S/C23H23Cl2N5O/c1-15-13-21(30-11-3-2-4-12-30)29-23(26-15)28-18-8-6-17(7-9-18)27-22(31)19-14-16(24)5-10-20(19)25/h5-10,13-14H,2-4,11-12H2,1H3,(H,27,31)(H,26,28,29)
• InChIKey: KDZUOLJLFZRCRR-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 70.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.38
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide?

The IUPAC name of 2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide (CID 121032327) is 2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide.

What is the SMILES notation for 2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide?

The canonical SMILES for 2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide is Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)n1.

What is the InChIKey of 2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide?

The InChIKey is KDZUOLJLFZRCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O/c1-15-13-21(30-11-3-2-4-12-30)29-23(26-15)28-18-8-6-17(7-9-18)27-22(31)19-14-16(24)5-10-20(19)25/h5-10,13-14H,2-4,11-12H2,1H3,(H,27,31)(H,26,28,29).

What are the key properties of 2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide?

2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide has a molecular weight of 456.38 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 121032327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).