1-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C22H21F3N4O4 — CID 166241183

About 1-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide;2,2,2-trifluoroacetic acid

1-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166241183) has the molecular formula C22H21F3N4O4 and a molecular weight of 462.43 g/mol. Its IUPAC name is 1-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 1-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 166241183
• Molecular Formula: C22H21F3N4O4
• Molecular Weight: 462.43 g/mol
• Exact Mass: 462.15
• IUPAC Name: 1-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1ncn(-c2ccc(NC(=O)c3ccc(=O)n(C4CC4)c3)cc2)c1C.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H20N4O2.C2HF3O2/c1-13-14(2)24(12-21-13)18-6-4-16(5-7-18)22-20(26)15-3-10-19(25)23(11-15)17-8-9-17;3-2(4,5)1(6)7/h3-7,10-12,17H,8-9H2,1-2H3,(H,22,26);(H,6,7)
• InChIKey: GGSBQCUHKGVLME-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 106.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.43
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 1-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 166241183) is 1-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 1-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 1-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1ncn(-c2ccc(NC(=O)c3ccc(=O)n(C4CC4)c3)cc2)c1C.O=C(O)C(F)(F)F.

What is the InChIKey of 1-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is GGSBQCUHKGVLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2.C2HF3O2/c1-13-14(2)24(12-21-13)18-6-4-16(5-7-18)22-20(26)15-3-10-19(25)23(11-15)17-8-9-17;3-2(4,5)1(6)7/h3-7,10-12,17H,8-9H2,1-2H3,(H,22,26);(H,6,7).

What are the key properties of 1-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

1-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 462.43 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166241183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).