5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-(2-oxoquinolin-1-yl)pyridine-3-carboxamide

C24H16F4N4O3 — CID 167512180

About 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-(2-oxoquinolin-1-yl)pyridine-3-carboxamide

5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-(2-oxoquinolin-1-yl)pyridine-3-carboxamide (PubChem CID 167512180) has the molecular formula C24H16F4N4O3 and a molecular weight of 484.41 g/mol. Its IUPAC name is 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-(2-oxoquinolin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-(2-oxoquinolin-1-yl)pyridine-3-carboxamide
• PubChem CID: 167512180
• Molecular Formula: C24H16F4N4O3
• Molecular Weight: 484.41 g/mol
• Exact Mass: 484.12
• IUPAC Name: 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-(2-oxoquinolin-1-yl)pyridine-3-carboxamide
• SMILES: CNC(=O)c1cnc(-n2c(=O)ccc3ccccc32)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1
• InChI: InChI=1S/C24H16F4N4O3/c1-29-22(34)15-10-18(31-23(35)14-8-16(24(26,27)28)11-17(25)9-14)21(30-12-15)32-19-5-3-2-4-13(19)6-7-20(32)33/h2-12H,1H3,(H,29,34)(H,31,35)
• InChIKey: SZADQTBFMGAOSD-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 93.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.41
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-(2-oxoquinolin-1-yl)pyridine-3-carboxamide?

The IUPAC name of 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-(2-oxoquinolin-1-yl)pyridine-3-carboxamide (CID 167512180) is 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-(2-oxoquinolin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-(2-oxoquinolin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-(2-oxoquinolin-1-yl)pyridine-3-carboxamide is CNC(=O)c1cnc(-n2c(=O)ccc3ccccc32)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1.

What is the InChIKey of 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-(2-oxoquinolin-1-yl)pyridine-3-carboxamide?

The InChIKey is SZADQTBFMGAOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N4O3/c1-29-22(34)15-10-18(31-23(35)14-8-16(24(26,27)28)11-17(25)9-14)21(30-12-15)32-19-5-3-2-4-13(19)6-7-20(32)33/h2-12H,1H3,(H,29,34)(H,31,35).

What are the key properties of 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-(2-oxoquinolin-1-yl)pyridine-3-carboxamide?

5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-(2-oxoquinolin-1-yl)pyridine-3-carboxamide has a molecular weight of 484.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-(2-oxoquinolin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 167512180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).