2-[(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

C23H20Cl2N4O2 — CID 92847211

About 2-[(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

2-[(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 92847211) has the molecular formula C23H20Cl2N4O2 and a molecular weight of 455.35 g/mol. Its IUPAC name is 2-[(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
• PubChem CID: 92847211
• Molecular Formula: C23H20Cl2N4O2
• Molecular Weight: 455.35 g/mol
• Exact Mass: 454.10
• IUPAC Name: 2-[(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
• SMILES: COCc1cc(C)nc(N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1C#N
• InChI: InChI=1S/C23H20Cl2N4O2/c1-15-8-18(13-30-2)21(11-26)23(28-15)29-27-12-16-4-3-5-20(9-16)31-14-17-6-7-19(24)10-22(17)25/h3-10,12H,13-14H2,1-2H3,(H,28,29)/b27-12-
• InChIKey: PVDTUDOXRURROG-PPDIBHTLSA-N
• XLogP: 5.74
• TPSA: 79.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.35
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 2-[(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?

The IUPAC name of 2-[(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (CID 92847211) is 2-[(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.

What is the SMILES notation for 2-[(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?

The canonical SMILES for 2-[(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is COCc1cc(C)nc(N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1C#N.

What is the InChIKey of 2-[(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?

The InChIKey is PVDTUDOXRURROG-PPDIBHTLSA-N. The full InChI is InChI=1S/C23H20Cl2N4O2/c1-15-8-18(13-30-2)21(11-26)23(28-15)29-27-12-16-4-3-5-20(9-16)31-14-17-6-7-19(24)10-22(17)25/h3-10,12H,13-14H2,1-2H3,(H,28,29)/b27-12-.

What are the key properties of 2-[(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?

2-[(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 455.35 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 92847211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).