N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[8-tert-butyl-2-(5-cyclopropyl-3-pyridinyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide

C36H51N7O2 — CID 143970932

About N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[8-tert-butyl-2-(5-cyclopropyl-3-pyridinyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide

N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[8-tert-butyl-2-(5-cyclopropyl-3-pyridinyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide (PubChem CID 143970932) has the molecular formula C36H51N7O2 and a molecular weight of 613.85 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[8-tert-butyl-2-(5-cyclopropyl-3-pyridinyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide.

Molecular Properties

• Compound Name: N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[8-tert-butyl-2-(5-cyclopropyl-3-pyridinyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide
• PubChem CID: 143970932
• Molecular Formula: C36H51N7O2
• Molecular Weight: 613.85 g/mol
• Exact Mass: 613.41
• IUPAC Name: N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[8-tert-butyl-2-(5-cyclopropyl-3-pyridinyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide
• SMILES: CC(C)(C)CCC(c1ccc(C(=O)NC/C(N)=N/N)cc1)N1C(=O)C(c2cncc(C3CC3)c2)=NC12CCC(C(C)(C)C)CC2
• InChI: InChI=1S/C36H51N7O2/c1-34(2,3)16-15-29(24-9-11-25(12-10-24)32(44)40-22-30(37)42-38)43-33(45)31(27-19-26(20-39-21-27)23-7-8-23)41-36(43)17-13-28(14-18-36)35(4,5)6/h9-12,19-21,23,28-29H,7-8,13-18,22,38H2,1-6H3,(H2,37,42)(H,40,44)
• InChIKey: SGSXPVQEYMBFIN-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 139.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.85
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[8-tert-butyl-2-(5-cyclopropyl-3-pyridinyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide?

The IUPAC name of N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[8-tert-butyl-2-(5-cyclopropyl-3-pyridinyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide (CID 143970932) is N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[8-tert-butyl-2-(5-cyclopropyl-3-pyridinyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide.

What is the SMILES notation for N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[8-tert-butyl-2-(5-cyclopropyl-3-pyridinyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide?

The canonical SMILES for N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[8-tert-butyl-2-(5-cyclopropyl-3-pyridinyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide is CC(C)(C)CCC(c1ccc(C(=O)NC/C(N)=N/N)cc1)N1C(=O)C(c2cncc(C3CC3)c2)=NC12CCC(C(C)(C)C)CC2.

What is the InChIKey of N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[8-tert-butyl-2-(5-cyclopropyl-3-pyridinyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide?

The InChIKey is SGSXPVQEYMBFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H51N7O2/c1-34(2,3)16-15-29(24-9-11-25(12-10-24)32(44)40-22-30(37)42-38)43-33(45)31(27-19-26(20-39-21-27)23-7-8-23)41-36(43)17-13-28(14-18-36)35(4,5)6/h9-12,19-21,23,28-29H,7-8,13-18,22,38H2,1-6H3,(H2,37,42)(H,40,44).

What are the key properties of N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[8-tert-butyl-2-(5-cyclopropyl-3-pyridinyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide?

N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[8-tert-butyl-2-(5-cyclopropyl-3-pyridinyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide has a molecular weight of 613.85 g/mol, XLogP of 6.05, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-[1-[8-tert-butyl-2-(5-cyclopropyl-3-pyridinyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide is sourced from PubChem (CID 143970932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).