3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(1-methyl-2-oxopiperidin-3-yl)-1-(2-propan-2-ylphenyl)urea

C23H28F2N4O4 — CID 167456766

About 3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(1-methyl-2-oxopiperidin-3-yl)-1-(2-propan-2-ylphenyl)urea

3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(1-methyl-2-oxopiperidin-3-yl)-1-(2-propan-2-ylphenyl)urea (PubChem CID 167456766) has the molecular formula C23H28F2N4O4 and a molecular weight of 462.50 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(1-methyl-2-oxopiperidin-3-yl)-1-(2-propan-2-ylphenyl)urea.

Molecular Properties

• Compound Name: 3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(1-methyl-2-oxopiperidin-3-yl)-1-(2-propan-2-ylphenyl)urea
• PubChem CID: 167456766
• Molecular Formula: C23H28F2N4O4
• Molecular Weight: 462.50 g/mol
• Exact Mass: 462.21
• IUPAC Name: 3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(1-methyl-2-oxopiperidin-3-yl)-1-(2-propan-2-ylphenyl)urea
• SMILES: COc1ccc(NC(=O)N(c2ccccc2C(C)C)C2CCCN(C)C2=O)c(OC(F)F)n1
• InChI: InChI=1S/C23H28F2N4O4/c1-14(2)15-8-5-6-9-17(15)29(18-10-7-13-28(3)21(18)30)23(31)26-16-11-12-19(32-4)27-20(16)33-22(24)25/h5-6,8-9,11-12,14,18,22H,7,10,13H2,1-4H3,(H,26,31)
• InChIKey: MTMGAYMDZWFJFP-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 84.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.50
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(1-methyl-2-oxopiperidin-3-yl)-1-(2-propan-2-ylphenyl)urea?

The IUPAC name of 3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(1-methyl-2-oxopiperidin-3-yl)-1-(2-propan-2-ylphenyl)urea (CID 167456766) is 3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(1-methyl-2-oxopiperidin-3-yl)-1-(2-propan-2-ylphenyl)urea.

What is the SMILES notation for 3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(1-methyl-2-oxopiperidin-3-yl)-1-(2-propan-2-ylphenyl)urea?

The canonical SMILES for 3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(1-methyl-2-oxopiperidin-3-yl)-1-(2-propan-2-ylphenyl)urea is COc1ccc(NC(=O)N(c2ccccc2C(C)C)C2CCCN(C)C2=O)c(OC(F)F)n1.

What is the InChIKey of 3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(1-methyl-2-oxopiperidin-3-yl)-1-(2-propan-2-ylphenyl)urea?

The InChIKey is MTMGAYMDZWFJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O4/c1-14(2)15-8-5-6-9-17(15)29(18-10-7-13-28(3)21(18)30)23(31)26-16-11-12-19(32-4)27-20(16)33-22(24)25/h5-6,8-9,11-12,14,18,22H,7,10,13H2,1-4H3,(H,26,31).

What are the key properties of 3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(1-methyl-2-oxopiperidin-3-yl)-1-(2-propan-2-ylphenyl)urea?

3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(1-methyl-2-oxopiperidin-3-yl)-1-(2-propan-2-ylphenyl)urea has a molecular weight of 462.50 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(1-methyl-2-oxopiperidin-3-yl)-1-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 167456766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).