3-amino-6-methyl-1H-pyridin-2-one;2-chloro-5-methyl-[1,3]oxazolo[5,4-b]pyridine;4-hydroxy-1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]butan-1-one;6-methyl-3-nitro-1H-pyridin-2-one;5-methyl-1H-[1,3]oxazolo[5,4-b]pyridine-2-thione;1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]ethanone;2-nitroacetamide

C80H67ClF9N25O17S — CID 158360422

About 3-amino-6-methyl-1H-pyridin-2-one;2-chloro-5-methyl-[1,3]oxazolo[5,4-b]pyridine;4-hydroxy-1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]butan-1-one;6-methyl-3-nitro-1H-pyridin-2-one;5-methyl-1H-[1,3]oxazolo[5,4-b]pyridine-2-thione;1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]ethanone;2-nitroacetamide

3-amino-6-methyl-1H-pyridin-2-one;2-chloro-5-methyl-[1,3]oxazolo[5,4-b]pyridine;4-hydroxy-1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]butan-1-one;6-methyl-3-nitro-1H-pyridin-2-one;5-methyl-1H-[1,3]oxazolo[5,4-b]pyridine-2-thione;1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]ethanone;2-nitroacetamide (PubChem CID 158360422) has the molecular formula C80H67ClF9N25O17S and a molecular weight of 1889.08 g/mol. Its IUPAC name is 3-amino-6-methyl-1H-pyridin-2-one;2-chloro-5-methyl-[1,3]oxazolo[5,4-b]pyridine;4-hydroxy-1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]butan-1-one;6-methyl-3-nitro-1H-pyridin-2-one;5-methyl-1H-[1,3]oxazolo[5,4-b]pyridine-2-thione;1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]ethanone;2-nitroacetamide.

Molecular Properties

• Compound Name: 3-amino-6-methyl-1H-pyridin-2-one;2-chloro-5-methyl-[1,3]oxazolo[5,4-b]pyridine;4-hydroxy-1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]butan-1-one;6-methyl-3-nitro-1H-pyridin-2-one;5-methyl-1H-[1,3]oxazolo[5,4-b]pyridine-2-thione;1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]ethanone;2-nitroacetamide
• PubChem CID: 158360422
• Molecular Formula: C80H67ClF9N25O17S
• Molecular Weight: 1889.08 g/mol
• Exact Mass: 1887.44
• IUPAC Name: 3-amino-6-methyl-1H-pyridin-2-one;2-chloro-5-methyl-[1,3]oxazolo[5,4-b]pyridine;4-hydroxy-1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]butan-1-one;6-methyl-3-nitro-1H-pyridin-2-one;5-methyl-1H-[1,3]oxazolo[5,4-b]pyridine-2-thione;1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]ethanone;2-nitroacetamide
• SMILES: CC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(C(F)(F)F)nc3o1)n2C.Cc1ccc(N)c(=O)[nH]1.Cc1ccc([N+](=O)[O-])c(=O)[nH]1.Cc1ccc2[nH]c(=S)oc2n1.Cc1ccc2nc(Cl)oc2n1.Cn1c(Nc2nc3ccc(C(F)(F)F)nc3o2)nc2cc(C(=O)CCCO)ccc21.Cn1c(Nc2nc3ccc(C(F)(F)F)nc3o2)nc2cc(C(=O)O)ccc21.NC(=O)C[N+](=O)[O-]
• InChI: InChI=1S/C19H16F3N5O3.C17H12F3N5O2.C16H10F3N5O3.C7H5ClN2O.C7H6N2OS.C6H6N2O3.C6H8N2O.C2H4N2O3/c1-27-13-6-4-10(14(29)3-2-8-28)9-12(13)23-17(27)26-18-24-11-5-7-15(19(20,21)22)25-16(11)30-18;1-8(26)9-3-5-12-11(7-9)21-15(25(12)2)24-16-22-10-4-6-13(17(18,19)20)23-14(10)27-16;1-24-10-4-2-7(13(25)26)6-9(10)20-14(24)23-15-21-8-3-5-11(16(17,18)19)22-12(8)27-15;1-4-2-3-5-6(9-4)11-7(8)10-5;1-4-2-3-5-6(8-4)10-7(11)9-5;1-4-2-3-5(8(10)11)6(9)7-4;1-4-2-3-5(7)6(9)8-4;3-2(5)1-4(6)7/h4-7,9,28H,2-3,8H2,1H3,(H,23,24,26);3-7H,1-2H3,(H,21,22,24);2-6H,1H3,(H,25,26)(H,20,21,23);2-3H,1H3;2-3H,1H3,(H,9,11);2-3H,1H3,(H,7,9);2-3H,7H2,1H3,(H,8,9);1H2,(H2,3,5)
• InChIKey: GTKARQLWDAOULG-UHFFFAOYSA-N
• XLogP: 15.46
• TPSA: 599.83 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 15
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1889.08
LogP ≤ 5	15.46
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-1H-pyridin-2-one;2-chloro-5-methyl-[1,3]oxazolo[5,4-b]pyridine;4-hydroxy-1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]butan-1-one;6-methyl-3-nitro-1H-pyridin-2-one;5-methyl-1H-[1,3]oxazolo[5,4-b]pyridine-2-thione;1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]ethanone;2-nitroacetamide?

The IUPAC name of 3-amino-6-methyl-1H-pyridin-2-one;2-chloro-5-methyl-[1,3]oxazolo[5,4-b]pyridine;4-hydroxy-1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]butan-1-one;6-methyl-3-nitro-1H-pyridin-2-one;5-methyl-1H-[1,3]oxazolo[5,4-b]pyridine-2-thione;1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]ethanone;2-nitroacetamide (CID 158360422) is 3-amino-6-methyl-1H-pyridin-2-one;2-chloro-5-methyl-[1,3]oxazolo[5,4-b]pyridine;4-hydroxy-1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]butan-1-one;6-methyl-3-nitro-1H-pyridin-2-one;5-methyl-1H-[1,3]oxazolo[5,4-b]pyridine-2-thione;1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]ethanone;2-nitroacetamide.

What is the SMILES notation for 3-amino-6-methyl-1H-pyridin-2-one;2-chloro-5-methyl-[1,3]oxazolo[5,4-b]pyridine;4-hydroxy-1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]butan-1-one;6-methyl-3-nitro-1H-pyridin-2-one;5-methyl-1H-[1,3]oxazolo[5,4-b]pyridine-2-thione;1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]ethanone;2-nitroacetamide?

The canonical SMILES for 3-amino-6-methyl-1H-pyridin-2-one;2-chloro-5-methyl-[1,3]oxazolo[5,4-b]pyridine;4-hydroxy-1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]butan-1-one;6-methyl-3-nitro-1H-pyridin-2-one;5-methyl-1H-[1,3]oxazolo[5,4-b]pyridine-2-thione;1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]ethanone;2-nitroacetamide is CC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(C(F)(F)F)nc3o1)n2C.Cc1ccc(N)c(=O)[nH]1.Cc1ccc([N+](=O)[O-])c(=O)[nH]1.Cc1ccc2[nH]c(=S)oc2n1.Cc1ccc2nc(Cl)oc2n1.Cn1c(Nc2nc3ccc(C(F)(F)F)nc3o2)nc2cc(C(=O)CCCO)ccc21.Cn1c(Nc2nc3ccc(C(F)(F)F)nc3o2)nc2cc(C(=O)O)ccc21.NC(=O)C[N+](=O)[O-].

What is the InChIKey of 3-amino-6-methyl-1H-pyridin-2-one;2-chloro-5-methyl-[1,3]oxazolo[5,4-b]pyridine;4-hydroxy-1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]butan-1-one;6-methyl-3-nitro-1H-pyridin-2-one;5-methyl-1H-[1,3]oxazolo[5,4-b]pyridine-2-thione;1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]ethanone;2-nitroacetamide?

The InChIKey is GTKARQLWDAOULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O3.C17H12F3N5O2.C16H10F3N5O3.C7H5ClN2O.C7H6N2OS.C6H6N2O3.C6H8N2O.C2H4N2O3/c1-27-13-6-4-10(14(29)3-2-8-28)9-12(13)23-17(27)26-18-24-11-5-7-15(19(20,21)22)25-16(11)30-18;1-8(26)9-3-5-12-11(7-9)21-15(25(12)2)24-16-22-10-4-6-13(17(18,19)20)23-14(10)27-16;1-24-10-4-2-7(13(25)26)6-9(10)20-14(24)23-15-21-8-3-5-11(16(17,18)19)22-12(8)27-15;1-4-2-3-5-6(9-4)11-7(8)10-5;1-4-2-3-5-6(8-4)10-7(11)9-5;1-4-2-3-5(8(10)11)6(9)7-4;1-4-2-3-5(7)6(9)8-4;3-2(5)1-4(6)7/h4-7,9,28H,2-3,8H2,1H3,(H,23,24,26);3-7H,1-2H3,(H,21,22,24);2-6H,1H3,(H,25,26)(H,20,21,23);2-3H,1H3;2-3H,1H3,(H,9,11);2-3H,1H3,(H,7,9);2-3H,7H2,1H3,(H,8,9);1H2,(H2,3,5).

What are the key properties of 3-amino-6-methyl-1H-pyridin-2-one;2-chloro-5-methyl-[1,3]oxazolo[5,4-b]pyridine;4-hydroxy-1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]butan-1-one;6-methyl-3-nitro-1H-pyridin-2-one;5-methyl-1H-[1,3]oxazolo[5,4-b]pyridine-2-thione;1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]ethanone;2-nitroacetamide?

3-amino-6-methyl-1H-pyridin-2-one;2-chloro-5-methyl-[1,3]oxazolo[5,4-b]pyridine;4-hydroxy-1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]butan-1-one;6-methyl-3-nitro-1H-pyridin-2-one;5-methyl-1H-[1,3]oxazolo[5,4-b]pyridine-2-thione;1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]ethanone;2-nitroacetamide has a molecular weight of 1889.08 g/mol, XLogP of 15.46, 15 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-methyl-1H-pyridin-2-one;2-chloro-5-methyl-[1,3]oxazolo[5,4-b]pyridine;4-hydroxy-1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]butan-1-one;6-methyl-3-nitro-1H-pyridin-2-one;5-methyl-1H-[1,3]oxazolo[5,4-b]pyridine-2-thione;1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]amino]benzimidazol-5-yl]ethanone;2-nitroacetamide is sourced from PubChem (CID 158360422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).