2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-2-amine

C57H49ClF9N15O3 — CID 158613222

About 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-2-amine

2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-2-amine (PubChem CID 158613222) has the molecular formula C57H49ClF9N15O3 and a molecular weight of 1198.56 g/mol. Its IUPAC name is 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-2-amine.

Molecular Properties

• Compound Name: 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-2-amine
• PubChem CID: 158613222
• Molecular Formula: C57H49ClF9N15O3
• Molecular Weight: 1198.56 g/mol
• Exact Mass: 1197.37
• IUPAC Name: 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-2-amine
• SMILES: CNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccccn2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccccn2)ncc1C(F)(F)F.Nc1ccccn1
• InChI: InChI=1S/2C19H16F3N5O.C14H11ClF3N3O.C5H6N2/c2*1-23-18(28)12-6-2-3-7-14(12)26-15-10-17(25-11-13(15)19(20,21)22)27-16-8-4-5-9-24-16;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;6-5-3-1-2-4-7-5/h2*2-11H,1H3,(H,23,28)(H2,24,25,26,27);2-7H,1H3,(H,19,22)(H,20,21);1-4H,(H2,6,7)
• InChIKey: HXBYMBIFLVKFLG-UHFFFAOYSA-N
• XLogP: 13.21
• TPSA: 250.81 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1198.56
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-2-amine?

The IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-2-amine (CID 158613222) is 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-2-amine.

What is the SMILES notation for 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-2-amine?

The canonical SMILES for 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-2-amine is CNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccccn2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccccn2)ncc1C(F)(F)F.Nc1ccccn1.

What is the InChIKey of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-2-amine?

The InChIKey is HXBYMBIFLVKFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16F3N5O.C14H11ClF3N3O.C5H6N2/c2*1-23-18(28)12-6-2-3-7-14(12)26-15-10-17(25-11-13(15)19(20,21)22)27-16-8-4-5-9-24-16;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;6-5-3-1-2-4-7-5/h2*2-11H,1H3,(H,23,28)(H2,24,25,26,27);2-7H,1H3,(H,19,22)(H,20,21);1-4H,(H2,6,7).

What are the key properties of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-2-amine?

2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-2-amine has a molecular weight of 1198.56 g/mol, XLogP of 13.21, 13 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-2-amine is sourced from PubChem (CID 158613222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).