N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;bis(N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide);methanol;4-nitrobenzoic acid;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;pyridine-2,4,5-triamine

C115H128N30O15 — CID 161047287

About N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;bis(N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide);methanol;4-nitrobenzoic acid;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;pyridine-2,4,5-triamine

N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;bis(N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide);methanol;4-nitrobenzoic acid;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;pyridine-2,4,5-triamine (PubChem CID 161047287) has the molecular formula C115H128N30O15 and a molecular weight of 2170.48 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;bis(N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide);methanol;4-nitrobenzoic acid;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;pyridine-2,4,5-triamine.

Molecular Properties

• Compound Name: N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;bis(N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide);methanol;4-nitrobenzoic acid;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;pyridine-2,4,5-triamine
• PubChem CID: 161047287
• Molecular Formula: C115H128N30O15
• Molecular Weight: 2170.48 g/mol
• Exact Mass: 2169.02
• IUPAC Name: N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;bis(N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide);methanol;4-nitrobenzoic acid;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;pyridine-2,4,5-triamine
• SMILES: CO.Nc1cc(N)c(N)cn1.Nc1cc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2cn1.Nc1ccc(-c2nc3cc(NC(=O)C4CCCCC4)ncc3[nH]2)cc1.O=C(Nc1cc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2cn1)C1CCCCC1.O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCCC4)ncc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCCC4)ncc3[nH]2)cc1)C1CCCCC1.O=C(O)c1ccc([N+](=O)[O-])cc1
• InChI: InChI=1S/2C26H31N5O2.C19H19N5O3.C19H21N5O.C12H9N5O2.C7H5NO4.C5H8N4.CH4O/c2*32-25(18-7-3-1-4-8-18)28-20-13-11-17(12-14-20)24-29-21-15-23(27-16-22(21)30-24)31-26(33)19-9-5-2-6-10-19;25-19(13-4-2-1-3-5-13)23-17-10-15-16(11-20-17)22-18(21-15)12-6-8-14(9-7-12)24(26)27;20-14-8-6-12(7-9-14)18-22-15-10-17(21-11-16(15)23-18)24-19(25)13-4-2-1-3-5-13;13-11-5-9-10(6-14-11)16-12(15-9)7-1-3-8(4-2-7)17(18)19;9-7(10)5-1-3-6(4-2-5)8(11)12;6-3-1-5(8)9-2-4(3)7;1-2/h2*11-16,18-19H,1-10H2,(H,28,32)(H,29,30)(H,27,31,33);6-11,13H,1-5H2,(H,21,22)(H,20,23,25);6-11,13H,1-5,20H2,(H,22,23)(H,21,24,25);1-6H,(H2,13,14)(H,15,16);1-4H,(H,9,10);1-2H,7H2,(H4,6,8,9);2H,1H3
• InChIKey: UBQVWYYPHDMPIX-UHFFFAOYSA-N
• XLogP: 21.95
• TPSA: 712.39 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2170.48
LogP ≤ 5	21.95
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', '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-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;bis(N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide);methanol;4-nitrobenzoic acid;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;pyridine-2,4,5-triamine?

The IUPAC name of N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;bis(N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide);methanol;4-nitrobenzoic acid;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;pyridine-2,4,5-triamine (CID 161047287) is N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;bis(N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide);methanol;4-nitrobenzoic acid;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;pyridine-2,4,5-triamine.

What is the SMILES notation for N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;bis(N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide);methanol;4-nitrobenzoic acid;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;pyridine-2,4,5-triamine?

The canonical SMILES for N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;bis(N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide);methanol;4-nitrobenzoic acid;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;pyridine-2,4,5-triamine is CO.Nc1cc(N)c(N)cn1.Nc1cc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2cn1.Nc1ccc(-c2nc3cc(NC(=O)C4CCCCC4)ncc3[nH]2)cc1.O=C(Nc1cc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2cn1)C1CCCCC1.O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCCC4)ncc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCCC4)ncc3[nH]2)cc1)C1CCCCC1.O=C(O)c1ccc([N+](=O)[O-])cc1.

What is the InChIKey of N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;bis(N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide);methanol;4-nitrobenzoic acid;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;pyridine-2,4,5-triamine?

The InChIKey is UBQVWYYPHDMPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H31N5O2.C19H19N5O3.C19H21N5O.C12H9N5O2.C7H5NO4.C5H8N4.CH4O/c2*32-25(18-7-3-1-4-8-18)28-20-13-11-17(12-14-20)24-29-21-15-23(27-16-22(21)30-24)31-26(33)19-9-5-2-6-10-19;25-19(13-4-2-1-3-5-13)23-17-10-15-16(11-20-17)22-18(21-15)12-6-8-14(9-7-12)24(26)27;20-14-8-6-12(7-9-14)18-22-15-10-17(21-11-16(15)23-18)24-19(25)13-4-2-1-3-5-13;13-11-5-9-10(6-14-11)16-12(15-9)7-1-3-8(4-2-7)17(18)19;9-7(10)5-1-3-6(4-2-5)8(11)12;6-3-1-5(8)9-2-4(3)7;1-2/h2*11-16,18-19H,1-10H2,(H,28,32)(H,29,30)(H,27,31,33);6-11,13H,1-5H2,(H,21,22)(H,20,23,25);6-11,13H,1-5,20H2,(H,22,23)(H,21,24,25);1-6H,(H2,13,14)(H,15,16);1-4H,(H,9,10);1-2H,7H2,(H4,6,8,9);2H,1H3.

What are the key properties of N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;bis(N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide);methanol;4-nitrobenzoic acid;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;pyridine-2,4,5-triamine?

N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;bis(N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide);methanol;4-nitrobenzoic acid;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;pyridine-2,4,5-triamine has a molecular weight of 2170.48 g/mol, XLogP of 21.95, 21 rotatable bonds, 18 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;bis(N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide);methanol;4-nitrobenzoic acid;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;pyridine-2,4,5-triamine is sourced from PubChem (CID 161047287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).