2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-amino-5-nitropyridine-3-carboxylic acid;6-aminopyridine-3-carboxylic acid;methyl 6-amino-5-[(4-nitrobenzoyl)amino]pyridine-3-carboxylate;methyl 6-amino-5-nitropyridine-3-carboxylate;methyl 5,6-diaminopyridine-3-carboxylate;4-nitrobenzoyl chloride;2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C89H79ClN26O26 — CID 159829974

About 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-amino-5-nitropyridine-3-carboxylic acid;6-aminopyridine-3-carboxylic acid;methyl 6-amino-5-[(4-nitrobenzoyl)amino]pyridine-3-carboxylate;methyl 6-amino-5-nitropyridine-3-carboxylate;methyl 5,6-diaminopyridine-3-carboxylate;4-nitrobenzoyl chloride;2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-amino-5-nitropyridine-3-carboxylic acid;6-aminopyridine-3-carboxylic acid;methyl 6-amino-5-[(4-nitrobenzoyl)amino]pyridine-3-carboxylate;methyl 6-amino-5-nitropyridine-3-carboxylate;methyl 5,6-diaminopyridine-3-carboxylate;4-nitrobenzoyl chloride;2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 159829974) has the molecular formula C89H79ClN26O26 and a molecular weight of 1964.22 g/mol. Its IUPAC name is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-amino-5-nitropyridine-3-carboxylic acid;6-aminopyridine-3-carboxylic acid;methyl 6-amino-5-[(4-nitrobenzoyl)amino]pyridine-3-carboxylate;methyl 6-amino-5-nitropyridine-3-carboxylate;methyl 5,6-diaminopyridine-3-carboxylate;4-nitrobenzoyl chloride;2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-amino-5-nitropyridine-3-carboxylic acid;6-aminopyridine-3-carboxylic acid;methyl 6-amino-5-[(4-nitrobenzoyl)amino]pyridine-3-carboxylate;methyl 6-amino-5-nitropyridine-3-carboxylate;methyl 5,6-diaminopyridine-3-carboxylate;4-nitrobenzoyl chloride;2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
• PubChem CID: 159829974
• Molecular Formula: C89H79ClN26O26
• Molecular Weight: 1964.22 g/mol
• Exact Mass: 1962.53
• IUPAC Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-amino-5-nitropyridine-3-carboxylic acid;6-aminopyridine-3-carboxylic acid;methyl 6-amino-5-[(4-nitrobenzoyl)amino]pyridine-3-carboxylate;methyl 6-amino-5-nitropyridine-3-carboxylate;methyl 5,6-diaminopyridine-3-carboxylate;4-nitrobenzoyl chloride;2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
• SMILES: COC(=O)c1cnc(N)c(N)c1.COC(=O)c1cnc(N)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1.COC(=O)c1cnc(N)c([N+](=O)[O-])c1.Nc1ccc(C(=O)O)cn1.Nc1ncc(C(=O)O)cc1[N+](=O)[O-].O=C(Cl)c1ccc([N+](=O)[O-])cc1.O=C(Nc1ccccn1)c1cnc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(O)c1cnc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1
• InChI: InChI=1S/C29H28N6O2.C14H12N4O5.C13H8N4O4.C7H4ClNO3.C7H7N3O4.C7H9N3O2.C6H5N3O4.C6H6N2O2/c36-27(34-24-3-1-2-8-30-24)21-12-23-26(31-16-21)35-25(33-23)20-4-6-22(7-5-20)32-28(37)29-13-17-9-18(14-29)11-19(10-17)15-29;1-23-14(20)9-6-11(12(15)16-7-9)17-13(19)8-2-4-10(5-3-8)18(21)22;18-13(19)8-5-10-12(14-6-8)16-11(15-10)7-1-3-9(4-2-7)17(20)21;8-7(10)5-1-3-6(4-2-5)9(11)12;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;1-12-7(11)4-2-5(8)6(9)10-3-4;7-5-4(9(12)13)1-3(2-8-5)6(10)11;7-5-2-1-4(3-8-5)6(9)10/h1-8,12,16-19H,9-11,13-15H2,(H,32,37)(H,30,34,36)(H,31,33,35);2-7H,1H3,(H2,15,16)(H,17,19);1-6H,(H,18,19)(H,14,15,16);1-4H;2-3H,1H3,(H2,8,9);2-3H,8H2,1H3,(H2,9,10);1-2H,(H2,7,8)(H,10,11);1-3H,(H2,7,8)(H,9,10)
• InChIKey: NNILPBWGQLTHAS-UHFFFAOYSA-N
• XLogP: 12.27
• TPSA: 827.47 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 39
• Rotatable Bonds: 20
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1964.22
LogP ≤ 5	12.27
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', '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 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-amino-5-nitropyridine-3-carboxylic acid;6-aminopyridine-3-carboxylic acid;methyl 6-amino-5-[(4-nitrobenzoyl)amino]pyridine-3-carboxylate;methyl 6-amino-5-nitropyridine-3-carboxylate;methyl 5,6-diaminopyridine-3-carboxylate;4-nitrobenzoyl chloride;2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?

The IUPAC name of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-amino-5-nitropyridine-3-carboxylic acid;6-aminopyridine-3-carboxylic acid;methyl 6-amino-5-[(4-nitrobenzoyl)amino]pyridine-3-carboxylate;methyl 6-amino-5-nitropyridine-3-carboxylate;methyl 5,6-diaminopyridine-3-carboxylate;4-nitrobenzoyl chloride;2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 159829974) is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-amino-5-nitropyridine-3-carboxylic acid;6-aminopyridine-3-carboxylic acid;methyl 6-amino-5-[(4-nitrobenzoyl)amino]pyridine-3-carboxylate;methyl 6-amino-5-nitropyridine-3-carboxylate;methyl 5,6-diaminopyridine-3-carboxylate;4-nitrobenzoyl chloride;2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

What is the SMILES notation for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-amino-5-nitropyridine-3-carboxylic acid;6-aminopyridine-3-carboxylic acid;methyl 6-amino-5-[(4-nitrobenzoyl)amino]pyridine-3-carboxylate;methyl 6-amino-5-nitropyridine-3-carboxylate;methyl 5,6-diaminopyridine-3-carboxylate;4-nitrobenzoyl chloride;2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?

The canonical SMILES for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-amino-5-nitropyridine-3-carboxylic acid;6-aminopyridine-3-carboxylic acid;methyl 6-amino-5-[(4-nitrobenzoyl)amino]pyridine-3-carboxylate;methyl 6-amino-5-nitropyridine-3-carboxylate;methyl 5,6-diaminopyridine-3-carboxylate;4-nitrobenzoyl chloride;2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is COC(=O)c1cnc(N)c(N)c1.COC(=O)c1cnc(N)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1.COC(=O)c1cnc(N)c([N+](=O)[O-])c1.Nc1ccc(C(=O)O)cn1.Nc1ncc(C(=O)O)cc1[N+](=O)[O-].O=C(Cl)c1ccc([N+](=O)[O-])cc1.O=C(Nc1ccccn1)c1cnc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(O)c1cnc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1.

What is the InChIKey of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-amino-5-nitropyridine-3-carboxylic acid;6-aminopyridine-3-carboxylic acid;methyl 6-amino-5-[(4-nitrobenzoyl)amino]pyridine-3-carboxylate;methyl 6-amino-5-nitropyridine-3-carboxylate;methyl 5,6-diaminopyridine-3-carboxylate;4-nitrobenzoyl chloride;2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?

The InChIKey is NNILPBWGQLTHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2.C14H12N4O5.C13H8N4O4.C7H4ClNO3.C7H7N3O4.C7H9N3O2.C6H5N3O4.C6H6N2O2/c36-27(34-24-3-1-2-8-30-24)21-12-23-26(31-16-21)35-25(33-23)20-4-6-22(7-5-20)32-28(37)29-13-17-9-18(14-29)11-19(10-17)15-29;1-23-14(20)9-6-11(12(15)16-7-9)17-13(19)8-2-4-10(5-3-8)18(21)22;18-13(19)8-5-10-12(14-6-8)16-11(15-10)7-1-3-9(4-2-7)17(20)21;8-7(10)5-1-3-6(4-2-5)9(11)12;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;1-12-7(11)4-2-5(8)6(9)10-3-4;7-5-4(9(12)13)1-3(2-8-5)6(10)11;7-5-2-1-4(3-8-5)6(9)10/h1-8,12,16-19H,9-11,13-15H2,(H,32,37)(H,30,34,36)(H,31,33,35);2-7H,1H3,(H2,15,16)(H,17,19);1-6H,(H,18,19)(H,14,15,16);1-4H;2-3H,1H3,(H2,8,9);2-3H,8H2,1H3,(H2,9,10);1-2H,(H2,7,8)(H,10,11);1-3H,(H2,7,8)(H,9,10).

What are the key properties of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-amino-5-nitropyridine-3-carboxylic acid;6-aminopyridine-3-carboxylic acid;methyl 6-amino-5-[(4-nitrobenzoyl)amino]pyridine-3-carboxylate;methyl 6-amino-5-nitropyridine-3-carboxylate;methyl 5,6-diaminopyridine-3-carboxylate;4-nitrobenzoyl chloride;2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?

2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-amino-5-nitropyridine-3-carboxylic acid;6-aminopyridine-3-carboxylic acid;methyl 6-amino-5-[(4-nitrobenzoyl)amino]pyridine-3-carboxylate;methyl 6-amino-5-nitropyridine-3-carboxylate;methyl 5,6-diaminopyridine-3-carboxylate;4-nitrobenzoyl chloride;2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 1964.22 g/mol, XLogP of 12.27, 20 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-amino-5-nitropyridine-3-carboxylic acid;6-aminopyridine-3-carboxylic acid;methyl 6-amino-5-[(4-nitrobenzoyl)amino]pyridine-3-carboxylate;methyl 6-amino-5-nitropyridine-3-carboxylate;methyl 5,6-diaminopyridine-3-carboxylate;4-nitrobenzoyl chloride;2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 159829974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).