N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide

C32H37N5O4 — CID 73225307

About N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide

N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide (PubChem CID 73225307) has the molecular formula C32H37N5O4 and a molecular weight of 555.68 g/mol. Its IUPAC name is N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide
• PubChem CID: 73225307
• Molecular Formula: C32H37N5O4
• Molecular Weight: 555.68 g/mol
• Exact Mass: 555.28
• IUPAC Name: N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide
• SMILES: CON=C1OCC(c2ccccc2)N1C1CCN(Cc2ccc(Oc3ccc(C(=O)NC4CC4)cc3)nc2C)CC1
• InChI: InChI=1S/C32H37N5O4/c1-22-25(10-15-30(33-22)41-28-13-8-24(9-14-28)31(38)34-26-11-12-26)20-36-18-16-27(17-19-36)37-29(21-40-32(37)35-39-2)23-6-4-3-5-7-23/h3-10,13-15,26-27,29H,11-12,16-21H2,1-2H3,(H,34,38)
• InChIKey: VWJQRHMLNILIJP-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 88.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.68
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide?

The IUPAC name of N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide (CID 73225307) is N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide.

What is the SMILES notation for N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide?

The canonical SMILES for N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide is CON=C1OCC(c2ccccc2)N1C1CCN(Cc2ccc(Oc3ccc(C(=O)NC4CC4)cc3)nc2C)CC1.

What is the InChIKey of N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide?

The InChIKey is VWJQRHMLNILIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O4/c1-22-25(10-15-30(33-22)41-28-13-8-24(9-14-28)31(38)34-26-11-12-26)20-36-18-16-27(17-19-36)37-29(21-40-32(37)35-39-2)23-6-4-3-5-7-23/h3-10,13-15,26-27,29H,11-12,16-21H2,1-2H3,(H,34,38).

What are the key properties of N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide?

N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide has a molecular weight of 555.68 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 73225307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).