N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-5-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide

C22H19F6N3O2 — CID 134268910

About N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-5-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide

N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-5-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 134268910) has the molecular formula C22H19F6N3O2 and a molecular weight of 471.40 g/mol. Its IUPAC name is N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-5-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-5-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 134268910
• Molecular Formula: C22H19F6N3O2
• Molecular Weight: 471.40 g/mol
• Exact Mass: 471.14
• IUPAC Name: N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-5-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
• SMILES: Cc1cc(-c2cc(NC(=O)C3CC3)nc(NC(=O)C3CC3)c2)cc(F)c1C(F)(F)C(F)(F)F
• InChI: InChI=1S/C22H19F6N3O2/c1-10-6-13(7-15(23)18(10)21(24,25)22(26,27)28)14-8-16(30-19(32)11-2-3-11)29-17(9-14)31-20(33)12-4-5-12/h6-9,11-12H,2-5H2,1H3,(H2,29,30,31,32,33)
• InChIKey: FGPHJFHZQXJYAI-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.40
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-5-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?

The IUPAC name of N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-5-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide (CID 134268910) is N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-5-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-5-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?

The canonical SMILES for N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-5-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide is Cc1cc(-c2cc(NC(=O)C3CC3)nc(NC(=O)C3CC3)c2)cc(F)c1C(F)(F)C(F)(F)F.

What is the InChIKey of N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-5-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?

The InChIKey is FGPHJFHZQXJYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F6N3O2/c1-10-6-13(7-15(23)18(10)21(24,25)22(26,27)28)14-8-16(30-19(32)11-2-3-11)29-17(9-14)31-20(33)12-4-5-12/h6-9,11-12H,2-5H2,1H3,(H2,29,30,31,32,33).

What are the key properties of N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-5-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?

N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-5-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 471.40 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-5-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 134268910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).