6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one

C38H42Cl2N6O4 — CID 146207052

About 6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one

6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one (PubChem CID 146207052) has the molecular formula C38H42Cl2N6O4 and a molecular weight of 717.70 g/mol. Its IUPAC name is 6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one.

Molecular Properties

• Compound Name: 6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one
• PubChem CID: 146207052
• Molecular Formula: C38H42Cl2N6O4
• Molecular Weight: 717.70 g/mol
• Exact Mass: 716.26
• IUPAC Name: 6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4ccc(CNCC5CCCC(=O)N5)c(OC)n4)c3Cl)c2Cl)ccc1CNCC1CCCC(=O)N1
• InChI: InChI=1S/C38H42Cl2N6O4/c1-49-37-23(19-41-21-25-7-3-13-33(47)43-25)15-17-31(45-37)29-11-5-9-27(35(29)39)28-10-6-12-30(36(28)40)32-18-16-24(38(46-32)50-2)20-42-22-26-8-4-14-34(48)44-26/h5-6,9-12,15-18,25-26,41-42H,3-4,7-8,13-14,19-22H2,1-2H3,(H,43,47)(H,44,48)
• InChIKey: RFRICFQSGQQGGN-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 126.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.70
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one?

The IUPAC name of 6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one (CID 146207052) is 6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one.

What is the SMILES notation for 6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one?

The canonical SMILES for 6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one is COc1nc(-c2cccc(-c3cccc(-c4ccc(CNCC5CCCC(=O)N5)c(OC)n4)c3Cl)c2Cl)ccc1CNCC1CCCC(=O)N1.

What is the InChIKey of 6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one?

The InChIKey is RFRICFQSGQQGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42Cl2N6O4/c1-49-37-23(19-41-21-25-7-3-13-33(47)43-25)15-17-31(45-37)29-11-5-9-27(35(29)39)28-10-6-12-30(36(28)40)32-18-16-24(38(46-32)50-2)20-42-22-26-8-4-14-34(48)44-26/h5-6,9-12,15-18,25-26,41-42H,3-4,7-8,13-14,19-22H2,1-2H3,(H,43,47)(H,44,48).

What are the key properties of 6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one?

6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one has a molecular weight of 717.70 g/mol, XLogP of 6.32, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one is sourced from PubChem (CID 146207052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).