N,N-dimethyl-2-[2-[[4-[[3-[[3-methyl-2-(oxidoamino)imidazol-4-yl]methyl-methylsulfonylamino]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide

C32H42N11O7S- — CID 165113521

About N,N-dimethyl-2-[2-[[4-[[3-[[3-methyl-2-(oxidoamino)imidazol-4-yl]methyl-methylsulfonylamino]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide

N,N-dimethyl-2-[2-[[4-[[3-[[3-methyl-2-(oxidoamino)imidazol-4-yl]methyl-methylsulfonylamino]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide (PubChem CID 165113521) has the molecular formula C32H42N11O7S- and a molecular weight of 724.82 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[[4-[[3-[[3-methyl-2-(oxidoamino)imidazol-4-yl]methyl-methylsulfonylamino]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[2-[[4-[[3-[[3-methyl-2-(oxidoamino)imidazol-4-yl]methyl-methylsulfonylamino]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide
• PubChem CID: 165113521
• Molecular Formula: C32H42N11O7S-
• Molecular Weight: 724.82 g/mol
• Exact Mass: 724.30
• IUPAC Name: N,N-dimethyl-2-[2-[[4-[[3-[[3-methyl-2-(oxidoamino)imidazol-4-yl]methyl-methylsulfonylamino]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide
• SMILES: CN(C)C(=O)COc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncc(N(Cc5cnc(N[O-])n5C)S(C)(=O)=O)cc34)CC2)nc1
• InChI: InChI=1S/C32H42N11O7S/c1-40(2)29(44)20-49-25-17-34-31(35-18-25)37-21-5-7-24(8-6-21)50-30-26-13-22(15-33-27(26)14-28(38-30)42-9-11-48-12-10-42)43(51(4,46)47)19-23-16-36-32(39-45)41(23)3/h13-18,21,24H,5-12,19-20H2,1-4H3,(H2-,34,35,36,37,39,45)/q-1
• InChIKey: RSKCKFQIOUEYRK-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 205.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.82
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[[4-[[3-[[3-methyl-2-(oxidoamino)imidazol-4-yl]methyl-methylsulfonylamino]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide?

The IUPAC name of N,N-dimethyl-2-[2-[[4-[[3-[[3-methyl-2-(oxidoamino)imidazol-4-yl]methyl-methylsulfonylamino]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide (CID 165113521) is N,N-dimethyl-2-[2-[[4-[[3-[[3-methyl-2-(oxidoamino)imidazol-4-yl]methyl-methylsulfonylamino]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide.

What is the SMILES notation for N,N-dimethyl-2-[2-[[4-[[3-[[3-methyl-2-(oxidoamino)imidazol-4-yl]methyl-methylsulfonylamino]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide?

The canonical SMILES for N,N-dimethyl-2-[2-[[4-[[3-[[3-methyl-2-(oxidoamino)imidazol-4-yl]methyl-methylsulfonylamino]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide is CN(C)C(=O)COc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncc(N(Cc5cnc(N[O-])n5C)S(C)(=O)=O)cc34)CC2)nc1.

What is the InChIKey of N,N-dimethyl-2-[2-[[4-[[3-[[3-methyl-2-(oxidoamino)imidazol-4-yl]methyl-methylsulfonylamino]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide?

The InChIKey is RSKCKFQIOUEYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N11O7S/c1-40(2)29(44)20-49-25-17-34-31(35-18-25)37-21-5-7-24(8-6-21)50-30-26-13-22(15-33-27(26)14-28(38-30)42-9-11-48-12-10-42)43(51(4,46)47)19-23-16-36-32(39-45)41(23)3/h13-18,21,24H,5-12,19-20H2,1-4H3,(H2-,34,35,36,37,39,45)/q-1.

What are the key properties of N,N-dimethyl-2-[2-[[4-[[3-[[3-methyl-2-(oxidoamino)imidazol-4-yl]methyl-methylsulfonylamino]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide?

N,N-dimethyl-2-[2-[[4-[[3-[[3-methyl-2-(oxidoamino)imidazol-4-yl]methyl-methylsulfonylamino]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide has a molecular weight of 724.82 g/mol, XLogP of 2.13, 13 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[2-[[4-[[3-[[3-methyl-2-(oxidoamino)imidazol-4-yl]methyl-methylsulfonylamino]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide is sourced from PubChem (CID 165113521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).