4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

C27H27N5O2 — CID 44521024

About 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 44521024) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
• PubChem CID: 44521024
• Molecular Formula: C27H27N5O2
• Molecular Weight: 453.55 g/mol
• Exact Mass: 453.22
• IUPAC Name: 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
• SMILES: Cc1cc(Oc2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c(-c2ccccn2)nc1C
• InChI: InChI=1S/C27H27N5O2/c1-19-17-25(27(30-20(19)2)24-5-3-4-11-28-24)34-23-10-12-29-26(18-23)31-21-6-8-22(9-7-21)32-13-15-33-16-14-32/h3-12,17-18H,13-16H2,1-2H3,(H,29,31)
• InChIKey: IMQLUYVCVAGOQD-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 72.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.55
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?

The IUPAC name of 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 44521024) is 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.

What is the SMILES notation for 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?

The canonical SMILES for 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is Cc1cc(Oc2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c(-c2ccccn2)nc1C.

What is the InChIKey of 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?

The InChIKey is IMQLUYVCVAGOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-19-17-25(27(30-20(19)2)24-5-3-4-11-28-24)34-23-10-12-29-26(18-23)31-21-6-8-22(9-7-21)32-13-15-33-16-14-32/h3-12,17-18H,13-16H2,1-2H3,(H,29,31).

What are the key properties of 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?

4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 453.55 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 44521024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).