6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide

C15H11ClF3N3O3 — CID 156880888

IUPAC6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Cl)cc1NC(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H11ClF3N3O3/c1-20-13(23)9-7-21-12(16)6-10(9)22-14(24)8-4-2-3-5-11(8)25-15(17,18)19/h2-7H,1H3,(H,20,23)(H,21,22,24)
InChIKeyQKVOLMYTBWOFCC-UHFFFAOYSA-N
MW373.72 g/mol
LogP3.25
Rot. Bonds4

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

6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide (PubChem CID 156880888) has the molecular formula C15H11ClF3N3O3 and a molecular weight of 373.72 g/mol. Its IUPAC name is 6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide
PubChem CID156880888
Molecular FormulaC15H11ClF3N3O3
Molecular Weight373.72 g/mol
Exact Mass373.04
IUPAC Name6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Cl)cc1NC(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H11ClF3N3O3/c1-20-13(23)9-7-21-12(16)6-10(9)22-14(24)8-4-2-3-5-11(8)25-15(17,18)19/h2-7H,1H3,(H,20,23)(H,21,22,24)
InChIKeyQKVOLMYTBWOFCC-UHFFFAOYSA-N
XLogP3.25
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide (CID 156880888) is 6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide is CNC(=O)c1cnc(Cl)cc1NC(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide?
The InChIKey is QKVOLMYTBWOFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O3/c1-20-13(23)9-7-21-12(16)6-10(9)22-14(24)8-4-2-3-5-11(8)25-15(17,18)19/h2-7H,1H3,(H,20,23)(H,21,22,24).
What are the key properties of 6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide?
6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide has a molecular weight of 373.72 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 156880888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).