2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide

C22H15ClFN5O — CID 118072376

About 2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide

2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 118072376) has the molecular formula C22H15ClFN5O and a molecular weight of 419.85 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide
• PubChem CID: 118072376
• Molecular Formula: C22H15ClFN5O
• Molecular Weight: 419.85 g/mol
• Exact Mass: 419.09
• IUPAC Name: 2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide
• SMILES: O=C(Nc1cncc(-c2ccccc2F)c1)c1ccnc(Nc2cccc(Cl)n2)c1
• InChI: InChI=1S/C22H15ClFN5O/c23-19-6-3-7-20(28-19)29-21-11-14(8-9-26-21)22(30)27-16-10-15(12-25-13-16)17-4-1-2-5-18(17)24/h1-13H,(H,27,30)(H,26,28,29)
• InChIKey: SUAAWJFROCBAMY-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.85
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide?

The IUPAC name of 2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide (CID 118072376) is 2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide?

The canonical SMILES for 2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide is O=C(Nc1cncc(-c2ccccc2F)c1)c1ccnc(Nc2cccc(Cl)n2)c1.

What is the InChIKey of 2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide?

The InChIKey is SUAAWJFROCBAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN5O/c23-19-6-3-7-20(28-19)29-21-11-14(8-9-26-21)22(30)27-16-10-15(12-25-13-16)17-4-1-2-5-18(17)24/h1-13H,(H,27,30)(H,26,28,29).

What are the key properties of 2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide?

2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 419.85 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 118072376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).