5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-[(2-methyl-4-pyridinyl)amino]pyridine-3-carboxamide

C21H17F4N5O2 — CID 167512571

About 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-[(2-methyl-4-pyridinyl)amino]pyridine-3-carboxamide

5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-[(2-methyl-4-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 167512571) has the molecular formula C21H17F4N5O2 and a molecular weight of 447.39 g/mol. Its IUPAC name is 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-[(2-methyl-4-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-[(2-methyl-4-pyridinyl)amino]pyridine-3-carboxamide
• PubChem CID: 167512571
• Molecular Formula: C21H17F4N5O2
• Molecular Weight: 447.39 g/mol
• Exact Mass: 447.13
• IUPAC Name: 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-[(2-methyl-4-pyridinyl)amino]pyridine-3-carboxamide
• SMILES: CNC(=O)c1cnc(Nc2ccnc(C)c2)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1
• InChI: InChI=1S/C21H17F4N5O2/c1-11-5-16(3-4-27-11)29-18-17(8-13(10-28-18)19(31)26-2)30-20(32)12-6-14(21(23,24)25)9-15(22)7-12/h3-10H,1-2H3,(H,26,31)(H,30,32)(H,27,28,29)
• InChIKey: LXBQKEPLGVMIQB-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 96.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.39
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	3
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-methyl-4-pyridinyl)amino]pyridine-3-carboxamide?

The IUPAC name of 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-[(2-methyl-4-pyridinyl)amino]pyridine-3-carboxamide (CID 167512571) is 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-[(2-methyl-4-pyridinyl)amino]pyridine-3-carboxamide.

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

The canonical SMILES for 5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-[(2-methyl-4-pyridinyl)amino]pyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccnc(C)c2)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-methyl-4-pyridinyl)amino]pyridine-3-carboxamide?

The InChIKey is LXBQKEPLGVMIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N5O2/c1-11-5-16(3-4-27-11)29-18-17(8-13(10-28-18)19(31)26-2)30-20(32)12-6-14(21(23,24)25)9-15(22)7-12/h3-10H,1-2H3,(H,26,31)(H,30,32)(H,27,28,29).

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

5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-[(2-methyl-4-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 447.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 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-methyl-4-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 167512571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).