cobalt(3+);methanol;5-methoxycarbonyl-N-[2-[2-[(5-methoxycarbonylpyridine-2-carbonyl)amino]ethyl-[2-[[(5-methoxycarbonyl-2-pyridinyl)-oxidomethylidene]amino]ethyl]amino]ethyl]pyridine-2-carboximidate;acetate;pentahydrate

C33H48CoN7O17 — CID 139164239

About cobalt(3+);methanol;5-methoxycarbonyl-N-[2-[2-[(5-methoxycarbonylpyridine-2-carbonyl)amino]ethyl-[2-[[(5-methoxycarbonyl-2-pyridinyl)-oxidomethylidene]amino]ethyl]amino]ethyl]pyridine-2-carboximidate;acetate;pentahydrate

cobalt(3+);methanol;5-methoxycarbonyl-N-[2-[2-[(5-methoxycarbonylpyridine-2-carbonyl)amino]ethyl-[2-[[(5-methoxycarbonyl-2-pyridinyl)-oxidomethylidene]amino]ethyl]amino]ethyl]pyridine-2-carboximidate;acetate;pentahydrate (PubChem CID 139164239) has the molecular formula C33H48CoN7O17 and a molecular weight of 873.71 g/mol. Its IUPAC name is cobalt(3+);methanol;5-methoxycarbonyl-N-[2-[2-[(5-methoxycarbonylpyridine-2-carbonyl)amino]ethyl-[2-[[(5-methoxycarbonyl-2-pyridinyl)-oxidomethylidene]amino]ethyl]amino]ethyl]pyridine-2-carboximidate;acetate;pentahydrate.

Molecular Properties

• Compound Name: cobalt(3+);methanol;5-methoxycarbonyl-N-[2-[2-[(5-methoxycarbonylpyridine-2-carbonyl)amino]ethyl-[2-[[(5-methoxycarbonyl-2-pyridinyl)-oxidomethylidene]amino]ethyl]amino]ethyl]pyridine-2-carboximidate;acetate;pentahydrate
• PubChem CID: 139164239
• Molecular Formula: C33H48CoN7O17
• Molecular Weight: 873.71 g/mol
• Exact Mass: 873.24
• IUPAC Name: cobalt(3+);methanol;5-methoxycarbonyl-N-[2-[2-[(5-methoxycarbonylpyridine-2-carbonyl)amino]ethyl-[2-[[(5-methoxycarbonyl-2-pyridinyl)-oxidomethylidene]amino]ethyl]amino]ethyl]pyridine-2-carboximidate;acetate;pentahydrate
• SMILES: CC(=O)[O-].CO.COC(=O)c1ccc(C(=O)NCCN(CC/N=C(\[O-])c2ccc(C(=O)OC)cn2)CC/N=C(/[O-])c2ccc(C(=O)OC)cn2)nc1.O.O.O.O.O.[Co+3]
• InChI: InChI=1S/C30H33N7O9.C2H4O2.CH4O.Co.5H2O/c1-44-28(41)19-4-7-22(34-16-19)25(38)31-10-13-37(14-11-32-26(39)23-8-5-20(17-35-23)29(42)45-2)15-12-33-27(40)24-9-6-21(18-36-24)30(43)46-3;1-2(3)4;1-2;;;;;;/h4-9,16-18H,10-15H2,1-3H3,(H,31,38)(H,32,39)(H,33,40);1H3,(H,3,4);2H,1H3;;5*1H2/q;;;+3;;;;;/p-3
• InChIKey: DJRGJWYPLYWOKH-UHFFFAOYSA-K
• XLogP: -6.88
• TPSA: 438.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.71
LogP ≤ 5	-6.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);methanol;5-methoxycarbonyl-N-[2-[2-[(5-methoxycarbonylpyridine-2-carbonyl)amino]ethyl-[2-[[(5-methoxycarbonyl-2-pyridinyl)-oxidomethylidene]amino]ethyl]amino]ethyl]pyridine-2-carboximidate;acetate;pentahydrate?

The IUPAC name of cobalt(3+);methanol;5-methoxycarbonyl-N-[2-[2-[(5-methoxycarbonylpyridine-2-carbonyl)amino]ethyl-[2-[[(5-methoxycarbonyl-2-pyridinyl)-oxidomethylidene]amino]ethyl]amino]ethyl]pyridine-2-carboximidate;acetate;pentahydrate (CID 139164239) is cobalt(3+);methanol;5-methoxycarbonyl-N-[2-[2-[(5-methoxycarbonylpyridine-2-carbonyl)amino]ethyl-[2-[[(5-methoxycarbonyl-2-pyridinyl)-oxidomethylidene]amino]ethyl]amino]ethyl]pyridine-2-carboximidate;acetate;pentahydrate.

What is the SMILES notation for cobalt(3+);methanol;5-methoxycarbonyl-N-[2-[2-[(5-methoxycarbonylpyridine-2-carbonyl)amino]ethyl-[2-[[(5-methoxycarbonyl-2-pyridinyl)-oxidomethylidene]amino]ethyl]amino]ethyl]pyridine-2-carboximidate;acetate;pentahydrate?

The canonical SMILES for cobalt(3+);methanol;5-methoxycarbonyl-N-[2-[2-[(5-methoxycarbonylpyridine-2-carbonyl)amino]ethyl-[2-[[(5-methoxycarbonyl-2-pyridinyl)-oxidomethylidene]amino]ethyl]amino]ethyl]pyridine-2-carboximidate;acetate;pentahydrate is CC(=O)[O-].CO.COC(=O)c1ccc(C(=O)NCCN(CC/N=C(\[O-])c2ccc(C(=O)OC)cn2)CC/N=C(/[O-])c2ccc(C(=O)OC)cn2)nc1.O.O.O.O.O.[Co+3].

What is the InChIKey of cobalt(3+);methanol;5-methoxycarbonyl-N-[2-[2-[(5-methoxycarbonylpyridine-2-carbonyl)amino]ethyl-[2-[[(5-methoxycarbonyl-2-pyridinyl)-oxidomethylidene]amino]ethyl]amino]ethyl]pyridine-2-carboximidate;acetate;pentahydrate?

The InChIKey is DJRGJWYPLYWOKH-UHFFFAOYSA-K. The full InChI is InChI=1S/C30H33N7O9.C2H4O2.CH4O.Co.5H2O/c1-44-28(41)19-4-7-22(34-16-19)25(38)31-10-13-37(14-11-32-26(39)23-8-5-20(17-35-23)29(42)45-2)15-12-33-27(40)24-9-6-21(18-36-24)30(43)46-3;1-2(3)4;1-2;;;;;;/h4-9,16-18H,10-15H2,1-3H3,(H,31,38)(H,32,39)(H,33,40);1H3,(H,3,4);2H,1H3;;5*1H2/q;;;+3;;;;;/p-3.

What are the key properties of cobalt(3+);methanol;5-methoxycarbonyl-N-[2-[2-[(5-methoxycarbonylpyridine-2-carbonyl)amino]ethyl-[2-[[(5-methoxycarbonyl-2-pyridinyl)-oxidomethylidene]amino]ethyl]amino]ethyl]pyridine-2-carboximidate;acetate;pentahydrate?

cobalt(3+);methanol;5-methoxycarbonyl-N-[2-[2-[(5-methoxycarbonylpyridine-2-carbonyl)amino]ethyl-[2-[[(5-methoxycarbonyl-2-pyridinyl)-oxidomethylidene]amino]ethyl]amino]ethyl]pyridine-2-carboximidate;acetate;pentahydrate has a molecular weight of 873.71 g/mol, XLogP of -6.88, 15 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(3+);methanol;5-methoxycarbonyl-N-[2-[2-[(5-methoxycarbonylpyridine-2-carbonyl)amino]ethyl-[2-[[(5-methoxycarbonyl-2-pyridinyl)-oxidomethylidene]amino]ethyl]amino]ethyl]pyridine-2-carboximidate;acetate;pentahydrate is sourced from PubChem (CID 139164239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).