[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol

C24H22N4O2 — CID 68851106

About [3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol

[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol (PubChem CID 68851106) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is [3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol.

Molecular Properties

• Compound Name: [3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol
• PubChem CID: 68851106
• Molecular Formula: C24H22N4O2
• Molecular Weight: 398.47 g/mol
• Exact Mass: 398.17
• IUPAC Name: [3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol
• SMILES: Cc1cc(Oc2ccnc(Nc3cccc(CO)c3)c2)c(-c2ccccn2)nc1C
• InChI: InChI=1S/C24H22N4O2/c1-16-12-22(24(27-17(16)2)21-8-3-4-10-25-21)30-20-9-11-26-23(14-20)28-19-7-5-6-18(13-19)15-29/h3-14,29H,15H2,1-2H3,(H,26,28)
• InChIKey: PDCNMBPMQJCALM-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 80.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol?

The IUPAC name of [3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol (CID 68851106) is [3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol.

What is the SMILES notation for [3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol?

The canonical SMILES for [3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol is Cc1cc(Oc2ccnc(Nc3cccc(CO)c3)c2)c(-c2ccccn2)nc1C.

What is the InChIKey of [3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol?

The InChIKey is PDCNMBPMQJCALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16-12-22(24(27-17(16)2)21-8-3-4-10-25-21)30-20-9-11-26-23(14-20)28-19-7-5-6-18(13-19)15-29/h3-14,29H,15H2,1-2H3,(H,26,28).

What are the key properties of [3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol?

[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol has a molecular weight of 398.47 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol is sourced from PubChem (CID 68851106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).