6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)

C66H64ClF9N18O6 — CID 158805901

About 6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)

6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide) (PubChem CID 158805901) has the molecular formula C66H64ClF9N18O6 and a molecular weight of 1411.79 g/mol. Its IUPAC name is 6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide).

Molecular Properties

• Compound Name: 6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)
• PubChem CID: 158805901
• Molecular Formula: C66H64ClF9N18O6
• Molecular Weight: 1411.79 g/mol
• Exact Mass: 1410.48
• IUPAC Name: 6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)
• SMILES: CN(C)C(=O)c1ccc(N)nc1.CNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cn2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cn2)ncc1C(F)(F)F
• InChI: InChI=1S/2C22H21F3N6O2.C14H11ClF3N3O.C8H11N3O/c2*1-26-20(32)14-6-4-5-7-16(14)29-17-10-19(28-12-15(17)22(23,24)25)30-18-9-8-13(11-27-18)21(33)31(2)3;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;1-11(2)8(12)6-3-4-7(9)10-5-6/h2*4-12H,1-3H3,(H,26,32)(H2,27,28,29,30);2-7H,1H3,(H,19,22)(H,20,21);3-5H,1-2H3,(H2,9,10)
• InChIKey: IUBNUJCHSZGLHD-UHFFFAOYSA-N
• XLogP: 12.31
• TPSA: 311.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1411.79
LogP ≤ 5	12.31
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)?

The IUPAC name of 6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide) (CID 158805901) is 6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide).

What is the SMILES notation for 6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)?

The canonical SMILES for 6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide) is CN(C)C(=O)c1ccc(N)nc1.CNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cn2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cn2)ncc1C(F)(F)F.

What is the InChIKey of 6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)?

The InChIKey is IUBNUJCHSZGLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21F3N6O2.C14H11ClF3N3O.C8H11N3O/c2*1-26-20(32)14-6-4-5-7-16(14)29-17-10-19(28-12-15(17)22(23,24)25)30-18-9-8-13(11-27-18)21(33)31(2)3;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;1-11(2)8(12)6-3-4-7(9)10-5-6/h2*4-12H,1-3H3,(H,26,32)(H2,27,28,29,30);2-7H,1H3,(H,19,22)(H,20,21);3-5H,1-2H3,(H2,9,10).

What are the key properties of 6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)?

6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide) has a molecular weight of 1411.79 g/mol, XLogP of 12.31, 16 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide) is sourced from PubChem (CID 158805901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).