[1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid

C24H28F2N4O5 — CID 146265906

About [1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid

[1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid (PubChem CID 146265906) has the molecular formula C24H28F2N4O5 and a molecular weight of 490.51 g/mol. Its IUPAC name is [1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid
• PubChem CID: 146265906
• Molecular Formula: C24H28F2N4O5
• Molecular Weight: 490.51 g/mol
• Exact Mass: 490.20
• IUPAC Name: [1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid
• SMILES: Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)C(C)NC(=O)O)C2)c(OC(F)F)n1
• InChI: InChI=1S/C24H28F2N4O5/c1-13(2)16-7-5-6-8-17(16)24(11-30(12-24)20(31)15(4)28-23(33)34)21(32)29-18-10-9-14(3)27-19(18)35-22(25)26/h5-10,13,15,22,28H,11-12H2,1-4H3,(H,29,32)(H,33,34)
• InChIKey: BZIJFVUBKTYXIP-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 120.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.51
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid?

The IUPAC name of [1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid (CID 146265906) is [1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid.

What is the SMILES notation for [1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid?

The canonical SMILES for [1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid is Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)C(C)NC(=O)O)C2)c(OC(F)F)n1.

What is the InChIKey of [1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid?

The InChIKey is BZIJFVUBKTYXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N4O5/c1-13(2)16-7-5-6-8-17(16)24(11-30(12-24)20(31)15(4)28-23(33)34)21(32)29-18-10-9-14(3)27-19(18)35-22(25)26/h5-10,13,15,22,28H,11-12H2,1-4H3,(H,29,32)(H,33,34).

What are the key properties of [1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid?

[1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 490.51 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 146265906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).