1-N'-(4-fluorophenyl)-1-N'-[4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide

C27H26FN5O5 — CID 68688792

About 1-N'-(4-fluorophenyl)-1-N'-[4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide

1-N'-(4-fluorophenyl)-1-N'-[4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 68688792) has the molecular formula C27H26FN5O5 and a molecular weight of 519.53 g/mol. Its IUPAC name is 1-N'-(4-fluorophenyl)-1-N'-[4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N'-(4-fluorophenyl)-1-N'-[4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
• PubChem CID: 68688792
• Molecular Formula: C27H26FN5O5
• Molecular Weight: 519.53 g/mol
• Exact Mass: 519.19
• IUPAC Name: 1-N'-(4-fluorophenyl)-1-N'-[4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
• SMILES: NC(=O)C1(C(=O)N(c2ccc(F)cc2)c2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)cc2)CC1
• InChI: InChI=1S/C27H26FN5O5/c28-18-1-3-19(4-2-18)33(25(35)27(10-11-27)24(29)34)20-5-7-21(8-6-20)38-22-9-12-30-23(17-22)31-26(36)32-13-15-37-16-14-32/h1-9,12,17H,10-11,13-16H2,(H2,29,34)(H,30,31,36)
• InChIKey: ADQYZWSBVOPJKQ-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 127.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.53
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-fluorophenyl)-1-N'-[4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N'-(4-fluorophenyl)-1-N'-[4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide (CID 68688792) is 1-N'-(4-fluorophenyl)-1-N'-[4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N'-(4-fluorophenyl)-1-N'-[4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N'-(4-fluorophenyl)-1-N'-[4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide is NC(=O)C1(C(=O)N(c2ccc(F)cc2)c2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)cc2)CC1.

What is the InChIKey of 1-N'-(4-fluorophenyl)-1-N'-[4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

The InChIKey is ADQYZWSBVOPJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O5/c28-18-1-3-19(4-2-18)33(25(35)27(10-11-27)24(29)34)20-5-7-21(8-6-20)38-22-9-12-30-23(17-22)31-26(36)32-13-15-37-16-14-32/h1-9,12,17H,10-11,13-16H2,(H2,29,34)(H,30,31,36).

What are the key properties of 1-N'-(4-fluorophenyl)-1-N'-[4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

1-N'-(4-fluorophenyl)-1-N'-[4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 519.53 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-(4-fluorophenyl)-1-N'-[4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 68688792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).