5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide

C42H35ClF6N12O4 — CID 160904596

About 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide

5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 160904596) has the molecular formula C42H35ClF6N12O4 and a molecular weight of 921.26 g/mol. Its IUPAC name is 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide
• PubChem CID: 160904596
• Molecular Formula: C42H35ClF6N12O4
• Molecular Weight: 921.26 g/mol
• Exact Mass: 920.25
• IUPAC Name: 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide
• SMILES: CNC(=O)c1cccnc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1cccnc1Nc1cc(Nc2ccc3c(c2)NC(=O)C3)ncc1C(F)(F)F.Nc1ccc2c(c1)CC(=O)N2
• InChI: InChI=1S/C21H17F3N6O2.C13H10ClF3N4O.C8H8N2O/c1-25-20(32)13-3-2-6-26-19(13)30-16-9-17(27-10-14(16)21(22,23)24)28-12-5-4-11-7-18(31)29-15(11)8-12;1-18-12(22)7-3-2-4-19-11(7)21-9-5-10(14)20-6-8(9)13(15,16)17;9-6-1-2-7-5(3-6)4-8(11)10-7/h2-6,8-10H,7H2,1H3,(H,25,32)(H,29,31)(H2,26,27,28,30);2-6H,1H3,(H,18,22)(H,19,20,21);1-3H,4,9H2,(H,10,11)
• InChIKey: SPYSDUNSEGGQDA-UHFFFAOYSA-N
• XLogP: 7.85
• TPSA: 230.07 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	921.26
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	8
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;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide?

The IUPAC name of 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide (CID 160904596) is 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide is CNC(=O)c1cccnc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1cccnc1Nc1cc(Nc2ccc3c(c2)NC(=O)C3)ncc1C(F)(F)F.Nc1ccc2c(c1)CC(=O)N2.

What is the InChIKey of 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide?

The InChIKey is SPYSDUNSEGGQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O2.C13H10ClF3N4O.C8H8N2O/c1-25-20(32)13-3-2-6-26-19(13)30-16-9-17(27-10-14(16)21(22,23)24)28-12-5-4-11-7-18(31)29-15(11)8-12;1-18-12(22)7-3-2-4-19-11(7)21-9-5-10(14)20-6-8(9)13(15,16)17;9-6-1-2-7-5(3-6)4-8(11)10-7/h2-6,8-10H,7H2,1H3,(H,25,32)(H,29,31)(H2,26,27,28,30);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;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide?

5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 921.26 g/mol, XLogP of 7.85, 8 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 160904596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).