6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C23H23F3N4O2 — CID 118919387

About 6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118919387) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is 6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
• PubChem CID: 118919387
• Molecular Formula: C23H23F3N4O2
• Molecular Weight: 444.46 g/mol
• Exact Mass: 444.18
• IUPAC Name: 6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
• SMILES: CCCCNc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(C)nc1
• InChI: InChI=1S/C23H23F3N4O2/c1-3-4-11-27-21-20(16-6-5-15(2)28-13-16)12-17(14-29-21)22(31)30-18-7-9-19(10-8-18)32-23(24,25)26/h5-10,12-14H,3-4,11H2,1-2H3,(H,27,29)(H,30,31)
• InChIKey: UFCPOVOMJMVRFJ-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 76.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.46
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The IUPAC name of 6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118919387) is 6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is CCCCNc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(C)nc1.

What is the InChIKey of 6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The InChIKey is UFCPOVOMJMVRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-3-4-11-27-21-20(16-6-5-15(2)28-13-16)12-17(14-29-21)22(31)30-18-7-9-19(10-8-18)32-23(24,25)26/h5-10,12-14H,3-4,11H2,1-2H3,(H,27,29)(H,30,31).

What are the key properties of 6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 5.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118919387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).