N-[5-(5-cyano-6-pyridin-2-yloxy-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[difluoro(iodo)methyl]pyridine-4-carboxamide

C24H15F2IN6O2 — CID 155216132

About N-[5-(5-cyano-6-pyridin-2-yloxy-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[difluoro(iodo)methyl]pyridine-4-carboxamide

N-[5-(5-cyano-6-pyridin-2-yloxy-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[difluoro(iodo)methyl]pyridine-4-carboxamide (PubChem CID 155216132) has the molecular formula C24H15F2IN6O2 and a molecular weight of 584.32 g/mol. Its IUPAC name is N-[5-(5-cyano-6-pyridin-2-yloxy-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[difluoro(iodo)methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(5-cyano-6-pyridin-2-yloxy-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[difluoro(iodo)methyl]pyridine-4-carboxamide
• PubChem CID: 155216132
• Molecular Formula: C24H15F2IN6O2
• Molecular Weight: 584.32 g/mol
• Exact Mass: 584.03
• IUPAC Name: N-[5-(5-cyano-6-pyridin-2-yloxy-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[difluoro(iodo)methyl]pyridine-4-carboxamide
• SMILES: Cc1ncc(NC(=O)c2ccnc(C(F)(F)I)c2)cc1-c1cnc(Oc2ccccn2)c(C#N)c1
• InChI: InChI=1S/C24H15F2IN6O2/c1-14-19(17-8-16(11-28)23(32-12-17)35-21-4-2-3-6-30-21)10-18(13-31-14)33-22(34)15-5-7-29-20(9-15)24(25,26)27/h2-10,12-13H,1H3,(H,33,34)
• InChIKey: DQOYEAJVWBCIML-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 113.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.32
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-cyano-6-pyridin-2-yloxy-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[difluoro(iodo)methyl]pyridine-4-carboxamide?

The IUPAC name of N-[5-(5-cyano-6-pyridin-2-yloxy-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[difluoro(iodo)methyl]pyridine-4-carboxamide (CID 155216132) is N-[5-(5-cyano-6-pyridin-2-yloxy-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[difluoro(iodo)methyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[5-(5-cyano-6-pyridin-2-yloxy-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[difluoro(iodo)methyl]pyridine-4-carboxamide?

The canonical SMILES for N-[5-(5-cyano-6-pyridin-2-yloxy-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[difluoro(iodo)methyl]pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(F)(F)I)c2)cc1-c1cnc(Oc2ccccn2)c(C#N)c1.

What is the InChIKey of N-[5-(5-cyano-6-pyridin-2-yloxy-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[difluoro(iodo)methyl]pyridine-4-carboxamide?

The InChIKey is DQOYEAJVWBCIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2IN6O2/c1-14-19(17-8-16(11-28)23(32-12-17)35-21-4-2-3-6-30-21)10-18(13-31-14)33-22(34)15-5-7-29-20(9-15)24(25,26)27/h2-10,12-13H,1H3,(H,33,34).

What are the key properties of N-[5-(5-cyano-6-pyridin-2-yloxy-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[difluoro(iodo)methyl]pyridine-4-carboxamide?

N-[5-(5-cyano-6-pyridin-2-yloxy-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[difluoro(iodo)methyl]pyridine-4-carboxamide has a molecular weight of 584.32 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5-cyano-6-pyridin-2-yloxy-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[difluoro(iodo)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 155216132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).