4-aminopyridine-2-carboxamide;4-[[2,5-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;2,5-difluoro-4-(trifluoromethyl)benzoyl chloride

C28H17ClF10N6O4 — CID 162220539

About 4-aminopyridine-2-carboxamide;4-[[2,5-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;2,5-difluoro-4-(trifluoromethyl)benzoyl chloride

4-aminopyridine-2-carboxamide;4-[[2,5-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;2,5-difluoro-4-(trifluoromethyl)benzoyl chloride (PubChem CID 162220539) has the molecular formula C28H17ClF10N6O4 and a molecular weight of 726.92 g/mol. Its IUPAC name is 4-aminopyridine-2-carboxamide;4-[[2,5-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;2,5-difluoro-4-(trifluoromethyl)benzoyl chloride.

Molecular Properties

• Compound Name: 4-aminopyridine-2-carboxamide;4-[[2,5-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;2,5-difluoro-4-(trifluoromethyl)benzoyl chloride
• PubChem CID: 162220539
• Molecular Formula: C28H17ClF10N6O4
• Molecular Weight: 726.92 g/mol
• Exact Mass: 726.08
• IUPAC Name: 4-aminopyridine-2-carboxamide;4-[[2,5-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;2,5-difluoro-4-(trifluoromethyl)benzoyl chloride
• SMILES: NC(=O)c1cc(N)ccn1.NC(=O)c1cc(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)ccn1.O=C(Cl)c1cc(F)c(C(F)(F)F)cc1F
• InChI: InChI=1S/C14H8F5N3O2.C8H2ClF5O.C6H7N3O/c15-9-5-8(14(17,18)19)10(16)4-7(9)13(24)22-6-1-2-21-11(3-6)12(20)23;9-7(15)3-1-6(11)4(2-5(3)10)8(12,13)14;7-4-1-2-9-5(3-4)6(8)10/h1-5H,(H2,20,23)(H,21,22,24);1-2H;1-3H,(H2,7,9)(H2,8,10)
• InChIKey: ZUBFBWZMSXNBBA-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 184.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.92
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-aminopyridine-2-carboxamide;4-[[2,5-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;2,5-difluoro-4-(trifluoromethyl)benzoyl chloride?

The IUPAC name of 4-aminopyridine-2-carboxamide;4-[[2,5-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;2,5-difluoro-4-(trifluoromethyl)benzoyl chloride (CID 162220539) is 4-aminopyridine-2-carboxamide;4-[[2,5-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;2,5-difluoro-4-(trifluoromethyl)benzoyl chloride.

What is the SMILES notation for 4-aminopyridine-2-carboxamide;4-[[2,5-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;2,5-difluoro-4-(trifluoromethyl)benzoyl chloride?

The canonical SMILES for 4-aminopyridine-2-carboxamide;4-[[2,5-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;2,5-difluoro-4-(trifluoromethyl)benzoyl chloride is NC(=O)c1cc(N)ccn1.NC(=O)c1cc(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)ccn1.O=C(Cl)c1cc(F)c(C(F)(F)F)cc1F.

What is the InChIKey of 4-aminopyridine-2-carboxamide;4-[[2,5-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;2,5-difluoro-4-(trifluoromethyl)benzoyl chloride?

The InChIKey is ZUBFBWZMSXNBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5N3O2.C8H2ClF5O.C6H7N3O/c15-9-5-8(14(17,18)19)10(16)4-7(9)13(24)22-6-1-2-21-11(3-6)12(20)23;9-7(15)3-1-6(11)4(2-5(3)10)8(12,13)14;7-4-1-2-9-5(3-4)6(8)10/h1-5H,(H2,20,23)(H,21,22,24);1-2H;1-3H,(H2,7,9)(H2,8,10).

What are the key properties of 4-aminopyridine-2-carboxamide;4-[[2,5-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;2,5-difluoro-4-(trifluoromethyl)benzoyl chloride?

4-aminopyridine-2-carboxamide;4-[[2,5-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;2,5-difluoro-4-(trifluoromethyl)benzoyl chloride has a molecular weight of 726.92 g/mol, XLogP of 5.86, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminopyridine-2-carboxamide;4-[[2,5-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;2,5-difluoro-4-(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 162220539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).