N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide;1,1-difluoropropan-2-one

C26H34F2N6O4 — CID 143197064

About N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide;1,1-difluoropropan-2-one

N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide;1,1-difluoropropan-2-one (PubChem CID 143197064) has the molecular formula C26H34F2N6O4 and a molecular weight of 532.59 g/mol. Its IUPAC name is N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide;1,1-difluoropropan-2-one.

Molecular Properties

• Compound Name: N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide;1,1-difluoropropan-2-one
• PubChem CID: 143197064
• Molecular Formula: C26H34F2N6O4
• Molecular Weight: 532.59 g/mol
• Exact Mass: 532.26
• IUPAC Name: N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide;1,1-difluoropropan-2-one
• SMILES: CC(=O)C(F)F.CC(C)(C)CN(NC(=O)c1ccc(OCCN2CCOCC2)cc1)c1ccnc(C#N)n1
• InChI: InChI=1S/C23H30N6O3.C3H4F2O/c1-23(2,3)17-29(21-8-9-25-20(16-24)26-21)27-22(30)18-4-6-19(7-5-18)32-15-12-28-10-13-31-14-11-28;1-2(6)3(4)5/h4-9H,10-15,17H2,1-3H3,(H,27,30);3H,1H3
• InChIKey: ZMBKCWDVRMDRHE-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 120.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.59
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide;1,1-difluoropropan-2-one?

The IUPAC name of N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide;1,1-difluoropropan-2-one (CID 143197064) is N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide;1,1-difluoropropan-2-one.

What is the SMILES notation for N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide;1,1-difluoropropan-2-one?

The canonical SMILES for N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide;1,1-difluoropropan-2-one is CC(=O)C(F)F.CC(C)(C)CN(NC(=O)c1ccc(OCCN2CCOCC2)cc1)c1ccnc(C#N)n1.

What is the InChIKey of N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide;1,1-difluoropropan-2-one?

The InChIKey is ZMBKCWDVRMDRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3.C3H4F2O/c1-23(2,3)17-29(21-8-9-25-20(16-24)26-21)27-22(30)18-4-6-19(7-5-18)32-15-12-28-10-13-31-14-11-28;1-2(6)3(4)5/h4-9H,10-15,17H2,1-3H3,(H,27,30);3H,1H3.

What are the key properties of N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide;1,1-difluoropropan-2-one?

N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide;1,1-difluoropropan-2-one has a molecular weight of 532.59 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide;1,1-difluoropropan-2-one is sourced from PubChem (CID 143197064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).