N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide

C25H23ClFN5O2 — CID 10116667

About N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide

N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide (PubChem CID 10116667) has the molecular formula C25H23ClFN5O2 and a molecular weight of 479.94 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
• PubChem CID: 10116667
• Molecular Formula: C25H23ClFN5O2
• Molecular Weight: 479.94 g/mol
• Exact Mass: 479.15
• IUPAC Name: N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
• SMILES: [H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1
• InChI: InChI=1S/C25H23ClFN5O2/c26-18-8-11-22(29-15-18)31-25(34)20-14-19(27)9-10-21(20)30-24(33)17-6-4-16(5-7-17)23(28)32-12-2-1-3-13-32/h4-11,14-15,28H,1-3,12-13H2,(H,30,33)(H,29,31,34)/b28-23-
• InChIKey: QVAIRMJKCQNPAA-NFFVHWSESA-N
• XLogP: 5.19
• TPSA: 98.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.94
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide (CID 10116667) is N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide?

The InChIKey is QVAIRMJKCQNPAA-NFFVHWSESA-N. The full InChI is InChI=1S/C25H23ClFN5O2/c26-18-8-11-22(29-15-18)31-25(34)20-14-19(27)9-10-21(20)30-24(33)17-6-4-16(5-7-17)23(28)32-12-2-1-3-13-32/h4-11,14-15,28H,1-3,12-13H2,(H,30,33)(H,29,31,34)/b28-23-.

What are the key properties of N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide?

N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide has a molecular weight of 479.94 g/mol, XLogP of 5.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 10116667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).