1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea

C26H32N4O4 — CID 66872460

About 1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea

1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea (PubChem CID 66872460) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea.

Molecular Properties

• Compound Name: 1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea
• PubChem CID: 66872460
• Molecular Formula: C26H32N4O4
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.24
• IUPAC Name: 1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea
• SMILES: COc1ccc(CCOc2cccc(-c3cccc(NC(=O)NCCN(C)C)c3)n2)cc1OC
• InChI: InChI=1S/C26H32N4O4/c1-30(2)15-14-27-26(31)28-21-8-5-7-20(18-21)22-9-6-10-25(29-22)34-16-13-19-11-12-23(32-3)24(17-19)33-4/h5-12,17-18H,13-16H2,1-4H3,(H2,27,28,31)
• InChIKey: PZHPRFQXOVNJMM-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 84.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea?

The IUPAC name of 1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea (CID 66872460) is 1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea.

What is the SMILES notation for 1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea?

The canonical SMILES for 1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea is COc1ccc(CCOc2cccc(-c3cccc(NC(=O)NCCN(C)C)c3)n2)cc1OC.

What is the InChIKey of 1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea?

The InChIKey is PZHPRFQXOVNJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-30(2)15-14-27-26(31)28-21-8-5-7-20(18-21)22-9-6-10-25(29-22)34-16-13-19-11-12-23(32-3)24(17-19)33-4/h5-12,17-18H,13-16H2,1-4H3,(H2,27,28,31).

What are the key properties of 1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea?

1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea has a molecular weight of 464.57 g/mol, XLogP of 4.07, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 66872460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).