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

C72H70ClF9N18O9 — CID 162125293

About (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;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;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide) (PubChem CID 162125293) has the molecular formula C72H70ClF9N18O9 and a molecular weight of 1537.90 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;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;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
• PubChem CID: 162125293
• Molecular Formula: C72H70ClF9N18O9
• Molecular Weight: 1537.90 g/mol
• Exact Mass: 1536.51
• IUPAC Name: (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
• SMILES: 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/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)
• InChIKey: ZHYCGIZPVSPNBS-UHFFFAOYSA-N
• XLogP: 11.62
• TPSA: 339.43 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1537.90
LogP ≤ 5	11.62
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;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;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide) (CID 162125293) is (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;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;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;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide) is 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;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)?

The InChIKey is ZHYCGIZPVSPNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H23F3N6O3.C14H11ClF3N3O.C10H13N3O2/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).

What are the key properties of (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;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;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide) has a molecular weight of 1537.90 g/mol, XLogP of 11.62, 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;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide) is sourced from PubChem (CID 162125293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).