2-[[6-[3-[3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol

C32H38N4O4 — CID 146206787

About 2-[[6-[3-[3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol

2-[[6-[3-[3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol (PubChem CID 146206787) has the molecular formula C32H38N4O4 and a molecular weight of 542.68 g/mol. Its IUPAC name is 2-[[6-[3-[3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol.

Molecular Properties

• Compound Name: 2-[[6-[3-[3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol
• PubChem CID: 146206787
• Molecular Formula: C32H38N4O4
• Molecular Weight: 542.68 g/mol
• Exact Mass: 542.29
• IUPAC Name: 2-[[6-[3-[3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4ccc(CNCCO)c(OC)n4)c3C)c2C)ccc1CNCCO
• InChI: InChI=1S/C32H38N4O4/c1-21-25(7-5-9-27(21)29-13-11-23(19-33-15-17-37)31(35-29)39-3)26-8-6-10-28(22(26)2)30-14-12-24(20-34-16-18-38)32(36-30)40-4/h5-14,33-34,37-38H,15-20H2,1-4H3
• InChIKey: GTZDRCADRXTGQU-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 108.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.68
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-[3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?

The IUPAC name of 2-[[6-[3-[3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol (CID 146206787) is 2-[[6-[3-[3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol.

What is the SMILES notation for 2-[[6-[3-[3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?

The canonical SMILES for 2-[[6-[3-[3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol is COc1nc(-c2cccc(-c3cccc(-c4ccc(CNCCO)c(OC)n4)c3C)c2C)ccc1CNCCO.

What is the InChIKey of 2-[[6-[3-[3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?

The InChIKey is GTZDRCADRXTGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O4/c1-21-25(7-5-9-27(21)29-13-11-23(19-33-15-17-37)31(35-29)39-3)26-8-6-10-28(22(26)2)30-14-12-24(20-34-16-18-38)32(36-30)40-4/h5-14,33-34,37-38H,15-20H2,1-4H3.

What are the key properties of 2-[[6-[3-[3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?

2-[[6-[3-[3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol has a molecular weight of 542.68 g/mol, XLogP of 4.28, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[3-[3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol is sourced from PubChem (CID 146206787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).