N'-[1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetohydrazide

C25H31N5O3 — CID 70227413

About N'-[1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetohydrazide

N'-[1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetohydrazide (PubChem CID 70227413) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is N'-[1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetohydrazide.

Molecular Properties

• Compound Name: N'-[1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetohydrazide
• PubChem CID: 70227413
• Molecular Formula: C25H31N5O3
• Molecular Weight: 449.56 g/mol
• Exact Mass: 449.24
• IUPAC Name: N'-[1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetohydrazide
• SMILES: C=C(NNC(=O)Cc1cc(C(C)C)c(OC)cc1C)c1ccc(-n2cnc(C)c2)c(OC)n1
• InChI: InChI=1S/C25H31N5O3/c1-15(2)20-11-19(16(3)10-23(20)32-6)12-24(31)29-28-18(5)21-8-9-22(25(27-21)33-7)30-13-17(4)26-14-30/h8-11,13-15,28H,5,12H2,1-4,6-7H3,(H,29,31)
• InChIKey: OPMQGJSEBKVQLL-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 90.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.56
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetohydrazide?

The IUPAC name of N'-[1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetohydrazide (CID 70227413) is N'-[1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetohydrazide.

What is the SMILES notation for N'-[1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetohydrazide?

The canonical SMILES for N'-[1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetohydrazide is C=C(NNC(=O)Cc1cc(C(C)C)c(OC)cc1C)c1ccc(-n2cnc(C)c2)c(OC)n1.

What is the InChIKey of N'-[1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetohydrazide?

The InChIKey is OPMQGJSEBKVQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-15(2)20-11-19(16(3)10-23(20)32-6)12-24(31)29-28-18(5)21-8-9-22(25(27-21)33-7)30-13-17(4)26-14-30/h8-11,13-15,28H,5,12H2,1-4,6-7H3,(H,29,31).

What are the key properties of N'-[1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetohydrazide?

N'-[1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetohydrazide has a molecular weight of 449.56 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetohydrazide is sourced from PubChem (CID 70227413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).