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

C64H53ClF9N17O6 — CID 160678927

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

5-amino-1,3-dihydroinden-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide) (PubChem CID 160678927) has the molecular formula C64H53ClF9N17O6 and a molecular weight of 1362.68 g/mol. Its IUPAC name is 5-amino-1,3-dihydroinden-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide).

Molecular Properties

• Compound Name: 5-amino-1,3-dihydroinden-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide)
• PubChem CID: 160678927
• Molecular Formula: C64H53ClF9N17O6
• Molecular Weight: 1362.68 g/mol
• Exact Mass: 1361.39
• IUPAC Name: 5-amino-1,3-dihydroinden-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide)
• SMILES: CNC(=O)c1ncccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ncccc1Nc1cc(Nc2ccc3c(c2)NC(=O)C3)ncc1C(F)(F)F.CNC(=O)c1ncccc1Nc1cc(Nc2ccc3c(c2)NC(=O)C3)ncc1C(F)(F)F.Nc1ccc2c(c1)CC(=O)C2
• InChI: InChI=1S/2C21H17F3N6O2.C13H10ClF3N4O.C9H9NO/c2*1-25-20(32)19-14(3-2-6-26-19)29-16-9-17(27-10-13(16)21(22,23)24)28-12-5-4-11-7-18(31)30-15(11)8-12;1-18-12(22)11-8(3-2-4-19-11)21-9-5-10(14)20-6-7(9)13(15,16)17;10-8-2-1-6-4-9(11)5-7(6)3-8/h2*2-6,8-10H,7H2,1H3,(H,25,32)(H,30,31)(H2,27,28,29);2-6H,1H3,(H,18,22)(H,20,21);1-3H,4-5,10H2
• InChIKey: RNWRZRMVDRYYHM-UHFFFAOYSA-N
• XLogP: 11.86
• TPSA: 326.08 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1362.68
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	18

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

The IUPAC name of 5-amino-1,3-dihydroinden-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide) (CID 160678927) is 5-amino-1,3-dihydroinden-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide).

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

The canonical SMILES for 5-amino-1,3-dihydroinden-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide) is CNC(=O)c1ncccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ncccc1Nc1cc(Nc2ccc3c(c2)NC(=O)C3)ncc1C(F)(F)F.CNC(=O)c1ncccc1Nc1cc(Nc2ccc3c(c2)NC(=O)C3)ncc1C(F)(F)F.Nc1ccc2c(c1)CC(=O)C2.

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

The InChIKey is RNWRZRMVDRYYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H17F3N6O2.C13H10ClF3N4O.C9H9NO/c2*1-25-20(32)19-14(3-2-6-26-19)29-16-9-17(27-10-13(16)21(22,23)24)28-12-5-4-11-7-18(31)30-15(11)8-12;1-18-12(22)11-8(3-2-4-19-11)21-9-5-10(14)20-6-7(9)13(15,16)17;10-8-2-1-6-4-9(11)5-7(6)3-8/h2*2-6,8-10H,7H2,1H3,(H,25,32)(H,30,31)(H2,27,28,29);2-6H,1H3,(H,18,22)(H,20,21);1-3H,4-5,10H2.

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

5-amino-1,3-dihydroinden-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide) has a molecular weight of 1362.68 g/mol, XLogP of 11.86, 13 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1,3-dihydroinden-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide) is sourced from PubChem (CID 160678927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).