5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide

C25H19F4N5O3 — CID 167512349

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

5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 167512349) has the molecular formula C25H19F4N5O3 and a molecular weight of 513.45 g/mol. Its IUPAC name is 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide
• PubChem CID: 167512349
• Molecular Formula: C25H19F4N5O3
• Molecular Weight: 513.45 g/mol
• Exact Mass: 513.14
• IUPAC Name: 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide
• SMILES: Cc1ccccc1Nc1ncc(C(=O)NCc2cocn2)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C25H19F4N5O3/c1-14-4-2-3-5-20(14)33-22-21(8-16(10-30-22)23(35)31-11-19-12-37-13-32-19)34-24(36)15-6-17(25(27,28)29)9-18(26)7-15/h2-10,12-13H,11H2,1H3,(H,30,33)(H,31,35)(H,34,36)
• InChIKey: UYMROTPEWIHEST-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 109.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.45
LogP ≤ 5	5.46
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-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide?

The IUPAC name of 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide (CID 167512349) is 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide.

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

The canonical SMILES for 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide is Cc1ccccc1Nc1ncc(C(=O)NCc2cocn2)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-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide?

The InChIKey is UYMROTPEWIHEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N5O3/c1-14-4-2-3-5-20(14)33-22-21(8-16(10-30-22)23(35)31-11-19-12-37-13-32-19)34-24(36)15-6-17(25(27,28)29)9-18(26)7-15/h2-10,12-13H,11H2,1H3,(H,30,33)(H,31,35)(H,34,36).

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

5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 513.45 g/mol, XLogP of 5.46, 7 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-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 167512349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).