1-[5-chloro-6-[[3-[3-[[3-chloro-6-methoxy-5-(methylaminomethyl)-2-pyridinyl]methoxy]-2-methylphenyl]-2-methylphenoxy]methyl]-2-methoxy-3-pyridinyl]-N-methylmethanamine

C32H36Cl2N4O4 — CID 162377237

About 1-[5-chloro-6-[[3-[3-[[3-chloro-6-methoxy-5-(methylaminomethyl)-2-pyridinyl]methoxy]-2-methylphenyl]-2-methylphenoxy]methyl]-2-methoxy-3-pyridinyl]-N-methylmethanamine

1-[5-chloro-6-[[3-[3-[[3-chloro-6-methoxy-5-(methylaminomethyl)-2-pyridinyl]methoxy]-2-methylphenyl]-2-methylphenoxy]methyl]-2-methoxy-3-pyridinyl]-N-methylmethanamine (PubChem CID 162377237) has the molecular formula C32H36Cl2N4O4 and a molecular weight of 611.57 g/mol. Its IUPAC name is 1-[5-chloro-6-[[3-[3-[[3-chloro-6-methoxy-5-(methylaminomethyl)-2-pyridinyl]methoxy]-2-methylphenyl]-2-methylphenoxy]methyl]-2-methoxy-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

• Compound Name: 1-[5-chloro-6-[[3-[3-[[3-chloro-6-methoxy-5-(methylaminomethyl)-2-pyridinyl]methoxy]-2-methylphenyl]-2-methylphenoxy]methyl]-2-methoxy-3-pyridinyl]-N-methylmethanamine
• PubChem CID: 162377237
• Molecular Formula: C32H36Cl2N4O4
• Molecular Weight: 611.57 g/mol
• Exact Mass: 610.21
• IUPAC Name: 1-[5-chloro-6-[[3-[3-[[3-chloro-6-methoxy-5-(methylaminomethyl)-2-pyridinyl]methoxy]-2-methylphenyl]-2-methylphenoxy]methyl]-2-methoxy-3-pyridinyl]-N-methylmethanamine
• SMILES: CNCc1cc(Cl)c(COc2cccc(-c3cccc(OCc4nc(OC)c(CNC)cc4Cl)c3C)c2C)nc1OC
• InChI: InChI=1S/C32H36Cl2N4O4/c1-19-23(9-7-11-29(19)41-17-27-25(33)13-21(15-35-3)31(37-27)39-5)24-10-8-12-30(20(24)2)42-18-28-26(34)14-22(16-36-4)32(38-28)40-6/h7-14,35-36H,15-18H2,1-6H3
• InChIKey: ATJMLNOZXTZVRE-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 86.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.57
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-[[3-[3-[[3-chloro-6-methoxy-5-(methylaminomethyl)-2-pyridinyl]methoxy]-2-methylphenyl]-2-methylphenoxy]methyl]-2-methoxy-3-pyridinyl]-N-methylmethanamine?

The IUPAC name of 1-[5-chloro-6-[[3-[3-[[3-chloro-6-methoxy-5-(methylaminomethyl)-2-pyridinyl]methoxy]-2-methylphenyl]-2-methylphenoxy]methyl]-2-methoxy-3-pyridinyl]-N-methylmethanamine (CID 162377237) is 1-[5-chloro-6-[[3-[3-[[3-chloro-6-methoxy-5-(methylaminomethyl)-2-pyridinyl]methoxy]-2-methylphenyl]-2-methylphenoxy]methyl]-2-methoxy-3-pyridinyl]-N-methylmethanamine.

What is the SMILES notation for 1-[5-chloro-6-[[3-[3-[[3-chloro-6-methoxy-5-(methylaminomethyl)-2-pyridinyl]methoxy]-2-methylphenyl]-2-methylphenoxy]methyl]-2-methoxy-3-pyridinyl]-N-methylmethanamine?

The canonical SMILES for 1-[5-chloro-6-[[3-[3-[[3-chloro-6-methoxy-5-(methylaminomethyl)-2-pyridinyl]methoxy]-2-methylphenyl]-2-methylphenoxy]methyl]-2-methoxy-3-pyridinyl]-N-methylmethanamine is CNCc1cc(Cl)c(COc2cccc(-c3cccc(OCc4nc(OC)c(CNC)cc4Cl)c3C)c2C)nc1OC.

What is the InChIKey of 1-[5-chloro-6-[[3-[3-[[3-chloro-6-methoxy-5-(methylaminomethyl)-2-pyridinyl]methoxy]-2-methylphenyl]-2-methylphenoxy]methyl]-2-methoxy-3-pyridinyl]-N-methylmethanamine?

The InChIKey is ATJMLNOZXTZVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36Cl2N4O4/c1-19-23(9-7-11-29(19)41-17-27-25(33)13-21(15-35-3)31(37-27)39-5)24-10-8-12-30(20(24)2)42-18-28-26(34)14-22(16-36-4)32(38-28)40-6/h7-14,35-36H,15-18H2,1-6H3.

What are the key properties of 1-[5-chloro-6-[[3-[3-[[3-chloro-6-methoxy-5-(methylaminomethyl)-2-pyridinyl]methoxy]-2-methylphenyl]-2-methylphenoxy]methyl]-2-methoxy-3-pyridinyl]-N-methylmethanamine?

1-[5-chloro-6-[[3-[3-[[3-chloro-6-methoxy-5-(methylaminomethyl)-2-pyridinyl]methoxy]-2-methylphenyl]-2-methylphenoxy]methyl]-2-methoxy-3-pyridinyl]-N-methylmethanamine has a molecular weight of 611.57 g/mol, XLogP of 6.68, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-chloro-6-[[3-[3-[[3-chloro-6-methoxy-5-(methylaminomethyl)-2-pyridinyl]methoxy]-2-methylphenyl]-2-methylphenoxy]methyl]-2-methoxy-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 162377237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).