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

C27H36N8O6S — CID 165113584

IUPACN,N-dimethyl-2-[2-[[4-[[3-(methylsulfamoyl)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide
SMILESCNS(=O)(=O)c1cnc2cc(N3CCOCC3)nc(OC3CCC(Nc4ncc(OCC(=O)N(C)C)cn4)CC3)c2c1
InChIInChI=1S/C27H36N8O6S/c1-28-42(37,38)21-12-22-23(29-16-21)13-24(35-8-10-39-11-9-35)33-26(22)41-19-6-4-18(5-7-19)32-27-30-14-20(15-31-27)40-17-25(36)34(2)3/h12-16,18-19,28H,4-11,17H2,1-3H3,(H,30,31,32)
InChIKeyMVBVVLYFZQMEIR-UHFFFAOYSA-N
MW600.70 g/mol
LogP1.43
Rot. Bonds10

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

N,N-dimethyl-2-[2-[[4-[[3-(methylsulfamoyl)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide (PubChem CID 165113584) has the molecular formula C27H36N8O6S and a molecular weight of 600.70 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[[4-[[3-(methylsulfamoyl)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[[4-[[3-(methylsulfamoyl)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide
PubChem CID165113584
Molecular FormulaC27H36N8O6S
Molecular Weight600.70 g/mol
Exact Mass600.25
IUPAC NameN,N-dimethyl-2-[2-[[4-[[3-(methylsulfamoyl)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide
SMILESCNS(=O)(=O)c1cnc2cc(N3CCOCC3)nc(OC3CCC(Nc4ncc(OCC(=O)N(C)C)cn4)CC3)c2c1
InChIInChI=1S/C27H36N8O6S/c1-28-42(37,38)21-12-22-23(29-16-21)13-24(35-8-10-39-11-9-35)33-26(22)41-19-6-4-18(5-7-19)32-27-30-14-20(15-31-27)40-17-25(36)34(2)3/h12-16,18-19,28H,4-11,17H2,1-3H3,(H,30,31,32)
InChIKeyMVBVVLYFZQMEIR-UHFFFAOYSA-N
XLogP1.43
TPSA161.00 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.70
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N,N-dimethyl-2-[2-[[4-[[3-(methylsulfamoyl)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide with MolForge

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Related Compounds

2-[2-[[4-[(3-iodo-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxy-N,N-dimethylacetamide
CID 165113573
2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid
CID 175633179
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
[7-morpholin-4-yl-5-[4-[[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide
CID 175781293
N-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
CID 165113612
N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine
CID 165113223
5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine
CID 165113640
N-[7-morpholin-4-yl-5-[4-[(5-piperazin-1-ylpyrimidin-2-yl)amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide
CID 165113388
[[5-[1-[[5-[4-[[5-[2-(dimethylamino)ethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-methylsulfonylamino]ethyl]-1-methylimidazol-2-yl]-oxidoamino] hypoiodite
CID 165113424
N-[5-[4-[(5-cyanopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-N-[[2-(hydroxyamino)-3-methylimidazol-4-yl]methyl]methanesulfonamide
CID 165113074
5-iodo-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
CID 165113010
N-[5-[1-[[5-[4-[[5-[2-(dimethylamino)ethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-methylimidazol-2-yl]methanimine oxide
CID 175633268

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[[4-[[3-(methylsulfamoyl)-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-(methylsulfamoyl)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide (CID 165113584) is N,N-dimethyl-2-[2-[[4-[[3-(methylsulfamoyl)-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-(methylsulfamoyl)-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-(methylsulfamoyl)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide is CNS(=O)(=O)c1cnc2cc(N3CCOCC3)nc(OC3CCC(Nc4ncc(OCC(=O)N(C)C)cn4)CC3)c2c1.
What is the InChIKey of N,N-dimethyl-2-[2-[[4-[[3-(methylsulfamoyl)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide?
The InChIKey is MVBVVLYFZQMEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N8O6S/c1-28-42(37,38)21-12-22-23(29-16-21)13-24(35-8-10-39-11-9-35)33-26(22)41-19-6-4-18(5-7-19)32-27-30-14-20(15-31-27)40-17-25(36)34(2)3/h12-16,18-19,28H,4-11,17H2,1-3H3,(H,30,31,32).
What are the key properties of N,N-dimethyl-2-[2-[[4-[[3-(methylsulfamoyl)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide?
N,N-dimethyl-2-[2-[[4-[[3-(methylsulfamoyl)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide has a molecular weight of 600.70 g/mol, XLogP of 1.43, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[[4-[[3-(methylsulfamoyl)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide is sourced from PubChem (CID 165113584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).