6-chloro-4-[[2-methoxy-4-(trifluoromethoxy)benzoyl]amino]-N-methylpyridine-3-carboxamide

C16H13ClF3N3O4 — CID 156880835

IUPAC6-chloro-4-[[2-methoxy-4-(trifluoromethoxy)benzoyl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Cl)cc1NC(=O)c1ccc(OC(F)(F)F)cc1OC
InChIInChI=1S/C16H13ClF3N3O4/c1-21-14(24)10-7-22-13(17)6-11(10)23-15(25)9-4-3-8(5-12(9)26-2)27-16(18,19)20/h3-7H,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyHBLZAMRGNMWUNA-UHFFFAOYSA-N
MW403.74 g/mol
LogP3.25
Rot. Bonds5

About 6-chloro-4-[[2-methoxy-4-(trifluoromethoxy)benzoyl]amino]-N-methylpyridine-3-carboxamide

6-chloro-4-[[2-methoxy-4-(trifluoromethoxy)benzoyl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 156880835) has the molecular formula C16H13ClF3N3O4 and a molecular weight of 403.74 g/mol. Its IUPAC name is 6-chloro-4-[[2-methoxy-4-(trifluoromethoxy)benzoyl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[[2-methoxy-4-(trifluoromethoxy)benzoyl]amino]-N-methylpyridine-3-carboxamide
PubChem CID156880835
Molecular FormulaC16H13ClF3N3O4
Molecular Weight403.74 g/mol
Exact Mass403.05
IUPAC Name6-chloro-4-[[2-methoxy-4-(trifluoromethoxy)benzoyl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Cl)cc1NC(=O)c1ccc(OC(F)(F)F)cc1OC
InChIInChI=1S/C16H13ClF3N3O4/c1-21-14(24)10-7-22-13(17)6-11(10)23-15(25)9-4-3-8(5-12(9)26-2)27-16(18,19)20/h3-7H,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyHBLZAMRGNMWUNA-UHFFFAOYSA-N
XLogP3.25
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.74
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[[2-methoxy-4-(trifluoromethoxy)benzoyl]amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-[[2-methoxy-4-(trifluoromethoxy)benzoyl]amino]-N-methylpyridine-3-carboxamide (CID 156880835) is 6-chloro-4-[[2-methoxy-4-(trifluoromethoxy)benzoyl]amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[[2-methoxy-4-(trifluoromethoxy)benzoyl]amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[[2-methoxy-4-(trifluoromethoxy)benzoyl]amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Cl)cc1NC(=O)c1ccc(OC(F)(F)F)cc1OC.
What is the InChIKey of 6-chloro-4-[[2-methoxy-4-(trifluoromethoxy)benzoyl]amino]-N-methylpyridine-3-carboxamide?
The InChIKey is HBLZAMRGNMWUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N3O4/c1-21-14(24)10-7-22-13(17)6-11(10)23-15(25)9-4-3-8(5-12(9)26-2)27-16(18,19)20/h3-7H,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of 6-chloro-4-[[2-methoxy-4-(trifluoromethoxy)benzoyl]amino]-N-methylpyridine-3-carboxamide?
6-chloro-4-[[2-methoxy-4-(trifluoromethoxy)benzoyl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 403.74 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[[2-methoxy-4-(trifluoromethoxy)benzoyl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 156880835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).