N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide

C81H89N19O8 — CID 159942848

About N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide

N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide (PubChem CID 159942848) has the molecular formula C81H89N19O8 and a molecular weight of 1456.73 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide.

Molecular Properties

• Compound Name: N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide
• PubChem CID: 159942848
• Molecular Formula: C81H89N19O8
• Molecular Weight: 1456.73 g/mol
• Exact Mass: 1455.71
• IUPAC Name: N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide
• SMILES: Nc1cc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2cn1.Nc1ccc(-c2nc3cc(NC(=O)C4CCCCCC4)ncc3[nH]2)cc1.O=C(Nc1cc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2cn1)C1CCCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCCC4)cc3[nH]2)cc1)C1CCCCCC1
• InChI: InChI=1S/C29H36N4O2.C20H21N5O3.C20H23N5O.C12H9N5O2/c34-28(21-9-5-1-2-6-10-21)30-23-15-13-20(14-16-23)27-32-25-18-17-24(19-26(25)33-27)31-29(35)22-11-7-3-4-8-12-22;26-20(14-5-3-1-2-4-6-14)24-18-11-16-17(12-21-18)23-19(22-16)13-7-9-15(10-8-13)25(27)28;21-15-9-7-13(8-10-15)19-23-16-11-18(22-12-17(16)24-19)25-20(26)14-5-3-1-2-4-6-14;13-11-5-9-10(6-14-11)16-12(15-9)7-1-3-8(4-2-7)17(18)19/h13-19,21-22H,1-12H2,(H,30,34)(H,31,35)(H,32,33);7-12,14H,1-6H2,(H,22,23)(H,21,24,26);7-12,14H,1-6,21H2,(H,23,24)(H,22,25,26);1-6H,(H2,13,14)(H,15,16)
• InChIKey: OBCJLJHRTDBIBI-UHFFFAOYSA-N
• XLogP: 17.72
• TPSA: 408.11 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1456.73
LogP ≤ 5	17.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

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]cycloheptanecarboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide?

The IUPAC name of N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide (CID 159942848) is N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide.

What is the SMILES notation for N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide?

The canonical SMILES for N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide is Nc1cc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2cn1.Nc1ccc(-c2nc3cc(NC(=O)C4CCCCCC4)ncc3[nH]2)cc1.O=C(Nc1cc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2cn1)C1CCCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCCC4)cc3[nH]2)cc1)C1CCCCCC1.

What is the InChIKey of N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide?

The InChIKey is OBCJLJHRTDBIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2.C20H21N5O3.C20H23N5O.C12H9N5O2/c34-28(21-9-5-1-2-6-10-21)30-23-15-13-20(14-16-23)27-32-25-18-17-24(19-26(25)33-27)31-29(35)22-11-7-3-4-8-12-22;26-20(14-5-3-1-2-4-6-14)24-18-11-16-17(12-21-18)23-19(22-16)13-7-9-15(10-8-13)25(27)28;21-15-9-7-13(8-10-15)19-23-16-11-18(22-12-17(16)24-19)25-20(26)14-5-3-1-2-4-6-14;13-11-5-9-10(6-14-11)16-12(15-9)7-1-3-8(4-2-7)17(18)19/h13-19,21-22H,1-12H2,(H,30,34)(H,31,35)(H,32,33);7-12,14H,1-6H2,(H,22,23)(H,21,24,26);7-12,14H,1-6,21H2,(H,23,24)(H,22,25,26);1-6H,(H2,13,14)(H,15,16).

What are the key properties of N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide?

N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide has a molecular weight of 1456.73 g/mol, XLogP of 17.72, 14 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cycloheptanecarboxamide is sourced from PubChem (CID 159942848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).