methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate

C29H32ClN3O4 — CID 67679483

About methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate

methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate (PubChem CID 67679483) has the molecular formula C29H32ClN3O4 and a molecular weight of 522.05 g/mol. Its IUPAC name is methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate
• PubChem CID: 67679483
• Molecular Formula: C29H32ClN3O4
• Molecular Weight: 522.05 g/mol
• Exact Mass: 521.21
• IUPAC Name: methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate
• SMILES: COC(=O)c1cncc(-c2ccccc2Oc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2Cl)c1
• InChI: InChI=1S/C29H32ClN3O4/c1-28(2)14-21(15-29(3,4)33-28)32-26(34)18-10-11-25(23(30)13-18)37-24-9-7-6-8-22(24)19-12-20(17-31-16-19)27(35)36-5/h6-13,16-17,21,33H,14-15H2,1-5H3,(H,32,34)
• InChIKey: RRNXFODUWMCWGY-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 89.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.05
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate?

The IUPAC name of methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate (CID 67679483) is methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate.

What is the SMILES notation for methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate?

The canonical SMILES for methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate is COC(=O)c1cncc(-c2ccccc2Oc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2Cl)c1.

What is the InChIKey of methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate?

The InChIKey is RRNXFODUWMCWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN3O4/c1-28(2)14-21(15-29(3,4)33-28)32-26(34)18-10-11-25(23(30)13-18)37-24-9-7-6-8-22(24)19-12-20(17-31-16-19)27(35)36-5/h6-13,16-17,21,33H,14-15H2,1-5H3,(H,32,34).

What are the key properties of methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate?

methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate has a molecular weight of 522.05 g/mol, XLogP of 6.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 67679483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).