3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C27H28ClN5O2 — CID 67679152

About 3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 67679152) has the molecular formula C27H28ClN5O2 and a molecular weight of 490.01 g/mol. Its IUPAC name is 3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

• Compound Name: 3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
• PubChem CID: 67679152
• Molecular Formula: C27H28ClN5O2
• Molecular Weight: 490.01 g/mol
• Exact Mass: 489.19
• IUPAC Name: 3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
• SMILES: CC1(C)CC(NC(=O)c2ccc(Oc3cncc(-c4ccncc4)c3C#N)c(Cl)c2)CC(C)(C)N1
• InChI: InChI=1S/C27H28ClN5O2/c1-26(2)12-19(13-27(3,4)33-26)32-25(34)18-5-6-23(22(28)11-18)35-24-16-31-15-21(20(24)14-29)17-7-9-30-10-8-17/h5-11,15-16,19,33H,12-13H2,1-4H3,(H,32,34)
• InChIKey: SKEDTIHDYPLVOA-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 99.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.01
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?

The IUPAC name of 3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 67679152) is 3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

What is the SMILES notation for 3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?

The canonical SMILES for 3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(Oc3cncc(-c4ccncc4)c3C#N)c(Cl)c2)CC(C)(C)N1.

What is the InChIKey of 3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?

The InChIKey is SKEDTIHDYPLVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O2/c1-26(2)12-19(13-27(3,4)33-26)32-25(34)18-5-6-23(22(28)11-18)35-24-16-31-15-21(20(24)14-29)17-7-9-30-10-8-17/h5-11,15-16,19,33H,12-13H2,1-4H3,(H,32,34).

What are the key properties of 3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?

3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 490.01 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 67679152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).