5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile

C20H24ClN7O — CID 172902390

About 5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile

5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 172902390) has the molecular formula C20H24ClN7O and a molecular weight of 413.91 g/mol. Its IUPAC name is 5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
• PubChem CID: 172902390
• Molecular Formula: C20H24ClN7O
• Molecular Weight: 413.91 g/mol
• Exact Mass: 413.17
• IUPAC Name: 5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
• SMILES: CN(c1ccnc(N2CCOCC2)n1)C1CCN(c2ncc(C#N)cc2Cl)CC1
• InChI: InChI=1S/C20H24ClN7O/c1-26(18-2-5-23-20(25-18)28-8-10-29-11-9-28)16-3-6-27(7-4-16)19-17(21)12-15(13-22)14-24-19/h2,5,12,14,16H,3-4,6-11H2,1H3
• InChIKey: FHHDLUJKZWWSQY-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 81.41 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.91
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?

The IUPAC name of 5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile (CID 172902390) is 5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?

The canonical SMILES for 5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile is CN(c1ccnc(N2CCOCC2)n1)C1CCN(c2ncc(C#N)cc2Cl)CC1.

What is the InChIKey of 5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?

The InChIKey is FHHDLUJKZWWSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN7O/c1-26(18-2-5-23-20(25-18)28-8-10-29-11-9-28)16-3-6-27(7-4-16)19-17(21)12-15(13-22)14-24-19/h2,5,12,14,16H,3-4,6-11H2,1H3.

What are the key properties of 5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?

5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 413.91 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 172902390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).