1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea

C20H27N5O3 — CID 55747114

About 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea

1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea (PubChem CID 55747114) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea.

Molecular Properties

• Compound Name: 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
• PubChem CID: 55747114
• Molecular Formula: C20H27N5O3
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.21
• IUPAC Name: 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
• SMILES: COc1ncccc1CNC(=O)NCc1ccc(N2CC(C)OC(C)C2)nc1
• InChI: InChI=1S/C20H27N5O3/c1-14-12-25(13-15(2)28-14)18-7-6-16(9-22-18)10-23-20(26)24-11-17-5-4-8-21-19(17)27-3/h4-9,14-15H,10-13H2,1-3H3,(H2,23,24,26)
• InChIKey: FJNUZDMMTWVXBX-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 88.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea?

The IUPAC name of 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea (CID 55747114) is 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea.

What is the SMILES notation for 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea?

The canonical SMILES for 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea is COc1ncccc1CNC(=O)NCc1ccc(N2CC(C)OC(C)C2)nc1.

What is the InChIKey of 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea?

The InChIKey is FJNUZDMMTWVXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14-12-25(13-15(2)28-14)18-7-6-16(9-22-18)10-23-20(26)24-11-17-5-4-8-21-19(17)27-3/h4-9,14-15H,10-13H2,1-3H3,(H2,23,24,26).

What are the key properties of 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea?

1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea has a molecular weight of 385.47 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 55747114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).