5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide

C43H36ClF6N11O4 — CID 159977967

About 5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide

5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 159977967) has the molecular formula C43H36ClF6N11O4 and a molecular weight of 920.27 g/mol. Its IUPAC name is 5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide
• PubChem CID: 159977967
• Molecular Formula: C43H36ClF6N11O4
• Molecular Weight: 920.27 g/mol
• Exact Mass: 919.25
• IUPAC Name: 5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide
• SMILES: CNC(=O)c1cnccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1cnccc1Nc1cc(Nc2ccc3c(c2)CC(=O)C3)ncc1C(F)(F)F.Nc1ccc2c(c1)CC(=O)N2
• InChI: InChI=1S/C22H18F3N5O2.C13H10ClF3N4O.C8H8N2O/c1-26-21(32)16-10-27-5-4-18(16)30-19-9-20(28-11-17(19)22(23,24)25)29-14-3-2-12-7-15(31)8-13(12)6-14;1-18-12(22)7-5-19-3-2-9(7)21-10-4-11(14)20-6-8(10)13(15,16)17;9-6-1-2-7-5(3-6)4-8(11)10-7/h2-6,9-11H,7-8H2,1H3,(H,26,32)(H2,27,28,29,30);2-6H,1H3,(H,18,22)(H,19,20,21);1-3H,4,9H2,(H,10,11)
• InChIKey: OFJZOYVZPLONJP-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 218.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	920.27
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide?

The IUPAC name of 5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide (CID 159977967) is 5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide is CNC(=O)c1cnccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1cnccc1Nc1cc(Nc2ccc3c(c2)CC(=O)C3)ncc1C(F)(F)F.Nc1ccc2c(c1)CC(=O)N2.

What is the InChIKey of 5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide?

The InChIKey is OFJZOYVZPLONJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2.C13H10ClF3N4O.C8H8N2O/c1-26-21(32)16-10-27-5-4-18(16)30-19-9-20(28-11-17(19)22(23,24)25)29-14-3-2-12-7-15(31)8-13(12)6-14;1-18-12(22)7-5-19-3-2-9(7)21-10-4-11(14)20-6-8(10)13(15,16)17;9-6-1-2-7-5(3-6)4-8(11)10-7/h2-6,9-11H,7-8H2,1H3,(H,26,32)(H2,27,28,29,30);2-6H,1H3,(H,18,22)(H,19,20,21);1-3H,4,9H2,(H,10,11).

What are the key properties of 5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide?

5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 920.27 g/mol, XLogP of 8.03, 8 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 159977967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).