N-[2-[(6-acetamido-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;N-[5-[[3-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide;2-chloro-3-nitro-5-(trifluoromethyl)pyridine;N-[5-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide

C51H39ClF12N18O8 — CID 161192488

About N-[2-[(6-acetamido-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;N-[5-[[3-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide;2-chloro-3-nitro-5-(trifluoromethyl)pyridine;N-[5-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide

N-[2-[(6-acetamido-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;N-[5-[[3-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide;2-chloro-3-nitro-5-(trifluoromethyl)pyridine;N-[5-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide (PubChem CID 161192488) has the molecular formula C51H39ClF12N18O8 and a molecular weight of 1295.42 g/mol. Its IUPAC name is N-[2-[(6-acetamido-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;N-[5-[[3-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide;2-chloro-3-nitro-5-(trifluoromethyl)pyridine;N-[5-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[(6-acetamido-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;N-[5-[[3-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide;2-chloro-3-nitro-5-(trifluoromethyl)pyridine;N-[5-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide
• PubChem CID: 161192488
• Molecular Formula: C51H39ClF12N18O8
• Molecular Weight: 1295.42 g/mol
• Exact Mass: 1294.27
• IUPAC Name: N-[2-[(6-acetamido-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;N-[5-[[3-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide;2-chloro-3-nitro-5-(trifluoromethyl)pyridine;N-[5-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1ccc(Nc2ncc(C(F)(F)F)cc2N)cn1.CC(=O)Nc1ccc(Nc2ncc(C(F)(F)F)cc2NC(=O)c2ccccn2)cn1.CC(=O)Nc1ccc(Nc2ncc(C(F)(F)F)cc2[N+](=O)[O-])cn1.O=[N+]([O-])c1cc(C(F)(F)F)cnc1Cl
• InChI: InChI=1S/C19H15F3N6O2.C13H10F3N5O3.C13H12F3N5O.C6H2ClF3N2O2/c1-11(29)26-16-6-5-13(10-24-16)27-17-15(8-12(9-25-17)19(20,21)22)28-18(30)14-4-2-3-7-23-14;1-7(22)19-11-3-2-9(6-17-11)20-12-10(21(23)24)4-8(5-18-12)13(14,15)16;1-7(22)20-11-3-2-9(6-18-11)21-12-10(17)4-8(5-19-12)13(14,15)16;7-5-4(12(13)14)1-3(2-11-5)6(8,9)10/h2-10H,1H3,(H,25,27)(H,28,30)(H,24,26,29);2-6H,1H3,(H,18,20)(H,17,19,22);2-6H,17H2,1H3,(H,19,21)(H,18,20,22);1-2H
• InChIKey: UTXFXYIFGVZSJQ-UHFFFAOYSA-N
• XLogP: 12.39
• TPSA: 367.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1295.42
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-acetamido-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;N-[5-[[3-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide;2-chloro-3-nitro-5-(trifluoromethyl)pyridine;N-[5-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide?

The IUPAC name of N-[2-[(6-acetamido-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;N-[5-[[3-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide;2-chloro-3-nitro-5-(trifluoromethyl)pyridine;N-[5-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide (CID 161192488) is N-[2-[(6-acetamido-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;N-[5-[[3-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide;2-chloro-3-nitro-5-(trifluoromethyl)pyridine;N-[5-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[2-[(6-acetamido-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;N-[5-[[3-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide;2-chloro-3-nitro-5-(trifluoromethyl)pyridine;N-[5-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide?

The canonical SMILES for N-[2-[(6-acetamido-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;N-[5-[[3-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide;2-chloro-3-nitro-5-(trifluoromethyl)pyridine;N-[5-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(Nc2ncc(C(F)(F)F)cc2N)cn1.CC(=O)Nc1ccc(Nc2ncc(C(F)(F)F)cc2NC(=O)c2ccccn2)cn1.CC(=O)Nc1ccc(Nc2ncc(C(F)(F)F)cc2[N+](=O)[O-])cn1.O=[N+]([O-])c1cc(C(F)(F)F)cnc1Cl.

What is the InChIKey of N-[2-[(6-acetamido-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;N-[5-[[3-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide;2-chloro-3-nitro-5-(trifluoromethyl)pyridine;N-[5-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide?

The InChIKey is UTXFXYIFGVZSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O2.C13H10F3N5O3.C13H12F3N5O.C6H2ClF3N2O2/c1-11(29)26-16-6-5-13(10-24-16)27-17-15(8-12(9-25-17)19(20,21)22)28-18(30)14-4-2-3-7-23-14;1-7(22)19-11-3-2-9(6-17-11)20-12-10(21(23)24)4-8(5-18-12)13(14,15)16;1-7(22)20-11-3-2-9(6-18-11)21-12-10(17)4-8(5-19-12)13(14,15)16;7-5-4(12(13)14)1-3(2-11-5)6(8,9)10/h2-10H,1H3,(H,25,27)(H,28,30)(H,24,26,29);2-6H,1H3,(H,18,20)(H,17,19,22);2-6H,17H2,1H3,(H,19,21)(H,18,20,22);1-2H.

What are the key properties of N-[2-[(6-acetamido-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;N-[5-[[3-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide;2-chloro-3-nitro-5-(trifluoromethyl)pyridine;N-[5-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide?

N-[2-[(6-acetamido-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;N-[5-[[3-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide;2-chloro-3-nitro-5-(trifluoromethyl)pyridine;N-[5-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide has a molecular weight of 1295.42 g/mol, XLogP of 12.39, 13 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(6-acetamido-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;N-[5-[[3-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide;2-chloro-3-nitro-5-(trifluoromethyl)pyridine;N-[5-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 161192488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).