2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine)

C66H67ClF9N15O4 — CID 159187874

About 2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine)

2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine) (PubChem CID 159187874) has the molecular formula C66H67ClF9N15O4 and a molecular weight of 1340.80 g/mol. Its IUPAC name is 2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine).

Molecular Properties

• Compound Name: 2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine)
• PubChem CID: 159187874
• Molecular Formula: C66H67ClF9N15O4
• Molecular Weight: 1340.80 g/mol
• Exact Mass: 1339.50
• IUPAC Name: 2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine)
• SMILES: COc1ccc(N2CCOCC2)cc1N.Cc1ccc(N2CCOCC2)cc1Nc1cc(Nc2ccccn2)c(C(F)(F)F)cn1.Cc1ccc(N2CCOCC2)cc1Nc1cc(Nc2ccccn2)c(C(F)(F)F)cn1.FC(F)(F)c1cnc(Cl)cc1Nc1ccccn1
• InChI: InChI=1S/2C22H22F3N5O.C11H7ClF3N3.C11H16N2O2/c2*1-15-5-6-16(30-8-10-31-11-9-30)12-18(15)28-21-13-19(17(14-27-21)22(23,24)25)29-20-4-2-3-7-26-20;12-9-5-8(7(6-17-9)11(13,14)15)18-10-3-1-2-4-16-10;1-14-11-3-2-9(8-10(11)12)13-4-6-15-7-5-13/h2*2-7,12-14H,8-11H2,1H3,(H2,26,27,28,29);1-6H,(H,16,17,18);2-3,8H,4-7,12H2,1H3
• InChIKey: KNSHVHUBVSKCTP-UHFFFAOYSA-N
• XLogP: 15.26
• TPSA: 210.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1340.80
LogP ≤ 5	15.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine)?

The IUPAC name of 2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine) (CID 159187874) is 2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine).

What is the SMILES notation for 2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine)?

The canonical SMILES for 2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine) is COc1ccc(N2CCOCC2)cc1N.Cc1ccc(N2CCOCC2)cc1Nc1cc(Nc2ccccn2)c(C(F)(F)F)cn1.Cc1ccc(N2CCOCC2)cc1Nc1cc(Nc2ccccn2)c(C(F)(F)F)cn1.FC(F)(F)c1cnc(Cl)cc1Nc1ccccn1.

What is the InChIKey of 2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine)?

The InChIKey is KNSHVHUBVSKCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22F3N5O.C11H7ClF3N3.C11H16N2O2/c2*1-15-5-6-16(30-8-10-31-11-9-30)12-18(15)28-21-13-19(17(14-27-21)22(23,24)25)29-20-4-2-3-7-26-20;12-9-5-8(7(6-17-9)11(13,14)15)18-10-3-1-2-4-16-10;1-14-11-3-2-9(8-10(11)12)13-4-6-15-7-5-13/h2*2-7,12-14H,8-11H2,1H3,(H2,26,27,28,29);1-6H,(H,16,17,18);2-3,8H,4-7,12H2,1H3.

What are the key properties of 2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine)?

2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine) has a molecular weight of 1340.80 g/mol, XLogP of 15.26, 14 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine) is sourced from PubChem (CID 159187874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).