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

C22H30N4O3 — CID 55741973

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

1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea (PubChem CID 55741973) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
• PubChem CID: 55741973
• Molecular Formula: C22H30N4O3
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.23
• IUPAC Name: 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
• SMILES: COc1ccccc1CCNC(=O)NCc1ccc(N2CC(C)OC(C)C2)nc1
• InChI: InChI=1S/C22H30N4O3/c1-16-14-26(15-17(2)29-16)21-9-8-18(12-24-21)13-25-22(27)23-11-10-19-6-4-5-7-20(19)28-3/h4-9,12,16-17H,10-11,13-15H2,1-3H3,(H2,23,25,27)
• InChIKey: ARQISGHLSZOJLK-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 75.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea (CID 55741973) is 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea.

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

The canonical SMILES for 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea is COc1ccccc1CCNC(=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-(2-methoxyphenyl)ethyl]urea?

The InChIKey is ARQISGHLSZOJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-16-14-26(15-17(2)29-16)21-9-8-18(12-24-21)13-25-22(27)23-11-10-19-6-4-5-7-20(19)28-3/h4-9,12,16-17H,10-11,13-15H2,1-3H3,(H2,23,25,27).

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

1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 398.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 55741973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).