N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide

C19H13Cl2N5O2 — CID 155290954

About N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide

N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide (PubChem CID 155290954) has the molecular formula C19H13Cl2N5O2 and a molecular weight of 414.25 g/mol. Its IUPAC name is N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide
• PubChem CID: 155290954
• Molecular Formula: C19H13Cl2N5O2
• Molecular Weight: 414.25 g/mol
• Exact Mass: 413.04
• IUPAC Name: N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide
• SMILES: O=C(N/N=C/c1cc(/N=N/c2ccc(Cl)cc2Cl)ccc1O)c1ccccn1
• InChI: InChI=1S/C19H13Cl2N5O2/c20-13-4-6-16(15(21)10-13)25-24-14-5-7-18(27)12(9-14)11-23-26-19(28)17-3-1-2-8-22-17/h1-11,27H,(H,26,28)/b23-11+,25-24+
• InChIKey: HITXXJVGIVKZAO-VJWFXWEISA-N
• XLogP: 5.27
• TPSA: 99.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.25
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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 N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide?

The IUPAC name of N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide (CID 155290954) is N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide.

What is the SMILES notation for N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide?

The canonical SMILES for N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide is O=C(N/N=C/c1cc(/N=N/c2ccc(Cl)cc2Cl)ccc1O)c1ccccn1.

What is the InChIKey of N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide?

The InChIKey is HITXXJVGIVKZAO-VJWFXWEISA-N. The full InChI is InChI=1S/C19H13Cl2N5O2/c20-13-4-6-16(15(21)10-13)25-24-14-5-7-18(27)12(9-14)11-23-26-19(28)17-3-1-2-8-22-17/h1-11,27H,(H,26,28)/b23-11+,25-24+.

What are the key properties of N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide?

N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide has a molecular weight of 414.25 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 155290954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).