lithium;N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;dimethylazanide;oxolane;hydrochloride;hydrofluoride;hydroiodide

C50H54Cl3FILiN10O7 — CID 162199745

About lithium;N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;dimethylazanide;oxolane;hydrochloride;hydrofluoride;hydroiodide

lithium;N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;dimethylazanide;oxolane;hydrochloride;hydrofluoride;hydroiodide (PubChem CID 162199745) has the molecular formula C50H54Cl3FILiN10O7 and a molecular weight of 1166.25 g/mol. Its IUPAC name is lithium;N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;dimethylazanide;oxolane;hydrochloride;hydrofluoride;hydroiodide.

Molecular Properties

• Compound Name: lithium;N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;dimethylazanide;oxolane;hydrochloride;hydrofluoride;hydroiodide
• PubChem CID: 162199745
• Molecular Formula: C50H54Cl3FILiN10O7
• Molecular Weight: 1166.25 g/mol
• Exact Mass: 1164.24
• IUPAC Name: lithium;N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;dimethylazanide;oxolane;hydrochloride;hydrofluoride;hydroiodide
• SMILES: C1CCOC1.COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.C[N-]C.Cl.F.I.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[Li+]
• InChI: InChI=1S/C23H22ClN5O3.C21H15ClN4O3.C4H8O.C2H6N.ClH.FH.HI.Li/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20;1-29-16-7-8-18(25-20(27)14-4-2-13(11-23)3-5-14)17(10-16)21(28)26-19-9-6-15(22)12-24-19;1-2-4-5-3-1;1-3-2;;;;/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31);2-10,12H,1H3,(H,25,27)(H,24,26,28);1-4H2;1-2H3;3*1H;/q;;;-1;;;;+1/b25-21-
• InChIKey: RBSYNZYPFXHPKV-VVLTXOQESA-N
• XLogP: 7.87
• TPSA: 234.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1166.25
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;dimethylazanide;oxolane;hydrochloride;hydrofluoride;hydroiodide?

The IUPAC name of lithium;N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;dimethylazanide;oxolane;hydrochloride;hydrofluoride;hydroiodide (CID 162199745) is lithium;N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;dimethylazanide;oxolane;hydrochloride;hydrofluoride;hydroiodide.

What is the SMILES notation for lithium;N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;dimethylazanide;oxolane;hydrochloride;hydrofluoride;hydroiodide?

The canonical SMILES for lithium;N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;dimethylazanide;oxolane;hydrochloride;hydrofluoride;hydroiodide is C1CCOC1.COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.C[N-]C.Cl.F.I.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[Li+].

What is the InChIKey of lithium;N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;dimethylazanide;oxolane;hydrochloride;hydrofluoride;hydroiodide?

The InChIKey is RBSYNZYPFXHPKV-VVLTXOQESA-N. The full InChI is InChI=1S/C23H22ClN5O3.C21H15ClN4O3.C4H8O.C2H6N.ClH.FH.HI.Li/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20;1-29-16-7-8-18(25-20(27)14-4-2-13(11-23)3-5-14)17(10-16)21(28)26-19-9-6-15(22)12-24-19;1-2-4-5-3-1;1-3-2;;;;/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31);2-10,12H,1H3,(H,25,27)(H,24,26,28);1-4H2;1-2H3;3*1H;/q;;;-1;;;;+1/b25-21-;;;;;;;.

What are the key properties of lithium;N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;dimethylazanide;oxolane;hydrochloride;hydrofluoride;hydroiodide?

lithium;N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;dimethylazanide;oxolane;hydrochloride;hydrofluoride;hydroiodide has a molecular weight of 1166.25 g/mol, XLogP of 7.87, 11 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;dimethylazanide;oxolane;hydrochloride;hydrofluoride;hydroiodide is sourced from PubChem (CID 162199745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).