5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C25H20F4N6O2 — CID 167512259

About 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 167512259) has the molecular formula C25H20F4N6O2 and a molecular weight of 512.47 g/mol. Its IUPAC name is 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
• PubChem CID: 167512259
• Molecular Formula: C25H20F4N6O2
• Molecular Weight: 512.47 g/mol
• Exact Mass: 512.16
• IUPAC Name: 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
• SMILES: Cc1ccccc1Nc1ncc(C(=O)Nc2cnn(C)c2)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C25H20F4N6O2/c1-14-5-3-4-6-20(14)33-22-21(9-16(11-30-22)24(37)32-19-12-31-35(2)13-19)34-23(36)15-7-17(25(27,28)29)10-18(26)8-15/h3-13H,1-2H3,(H,30,33)(H,32,37)(H,34,36)
• InChIKey: IDICERPBMQKGOI-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 100.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.47
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The IUPAC name of 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 167512259) is 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

What is the SMILES notation for 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The canonical SMILES for 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cc1ccccc1Nc1ncc(C(=O)Nc2cnn(C)c2)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1.

What is the InChIKey of 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The InChIKey is IDICERPBMQKGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N6O2/c1-14-5-3-4-6-20(14)33-22-21(9-16(11-30-22)24(37)32-19-12-31-35(2)13-19)34-23(36)15-7-17(25(27,28)29)10-18(26)8-15/h3-13H,1-2H3,(H,30,33)(H,32,37)(H,34,36).

What are the key properties of 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 512.47 g/mol, XLogP of 5.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 167512259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).