(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)

C73H74ClF9N18O9 — CID 158866719

About (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)

(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide) (PubChem CID 158866719) has the molecular formula C73H74ClF9N18O9 and a molecular weight of 1553.95 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide).

Molecular Properties

• Compound Name: (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
• PubChem CID: 158866719
• Molecular Formula: C73H74ClF9N18O9
• Molecular Weight: 1553.95 g/mol
• Exact Mass: 1552.54
• IUPAC Name: (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
• SMILES: C.CNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)ncc1C(F)(F)F.Nc1ccc(C(=O)N2CCOCC2)cn1
• InChI: InChI=1S/2C24H23F3N6O3.C14H11ClF3N3O.C10H13N3O2.CH4/c2*1-28-22(34)16-4-2-3-5-18(16)31-19-12-21(30-14-17(19)24(25,26)27)32-20-7-6-15(13-29-20)23(35)33-8-10-36-11-9-33;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13;/h2*2-7,12-14H,8-11H2,1H3,(H,28,34)(H2,29,30,31,32);2-7H,1H3,(H,19,22)(H,20,21);1-2,7H,3-6H2,(H2,11,12);1H4
• InChIKey: JBICVTNEDSMYKF-UHFFFAOYSA-N
• XLogP: 12.26
• TPSA: 339.43 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1553.95
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)?

The IUPAC name of (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide) (CID 158866719) is (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide).

What is the SMILES notation for (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)?

The canonical SMILES for (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide) is C.CNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)ncc1C(F)(F)F.Nc1ccc(C(=O)N2CCOCC2)cn1.

What is the InChIKey of (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)?

The InChIKey is JBICVTNEDSMYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H23F3N6O3.C14H11ClF3N3O.C10H13N3O2.CH4/c2*1-28-22(34)16-4-2-3-5-18(16)31-19-12-21(30-14-17(19)24(25,26)27)32-20-7-6-15(13-29-20)23(35)33-8-10-36-11-9-33;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13;/h2*2-7,12-14H,8-11H2,1H3,(H,28,34)(H2,29,30,31,32);2-7H,1H3,(H,19,22)(H,20,21);1-2,7H,3-6H2,(H2,11,12);1H4.

What are the key properties of (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)?

(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide) has a molecular weight of 1553.95 g/mol, XLogP of 12.26, 16 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide) is sourced from PubChem (CID 158866719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).