3-benzyl-N-[4-[[2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide

C33H34FN7O6S — CID 169490110

IUPAC3-benzyl-N-[4-[[2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(S(=O)(=O)N(C)C)cn4)c3)c(F)c2)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C33H34FN7O6S/c1-21(2)40-20-26(32(43)41(33(40)44)19-22-8-6-5-7-9-22)31(42)37-23-10-12-28(27(34)16-23)47-24-14-15-35-30(17-24)38-29-13-11-25(18-36-29)48(45,46)39(3)4/h5-18,21,26H,19-20H2,1-4H3,(H,37,42)(H,35,36,38)
InChIKeyCKEPSMFIYVUSNF-UHFFFAOYSA-N
MW675.74 g/mol
LogP4.83
Rot. Bonds11

About 3-benzyl-N-[4-[[2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide

3-benzyl-N-[4-[[2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide (PubChem CID 169490110) has the molecular formula C33H34FN7O6S and a molecular weight of 675.74 g/mol. Its IUPAC name is 3-benzyl-N-[4-[[2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[4-[[2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide
PubChem CID169490110
Molecular FormulaC33H34FN7O6S
Molecular Weight675.74 g/mol
Exact Mass675.23
IUPAC Name3-benzyl-N-[4-[[2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(S(=O)(=O)N(C)C)cn4)c3)c(F)c2)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C33H34FN7O6S/c1-21(2)40-20-26(32(43)41(33(40)44)19-22-8-6-5-7-9-22)31(42)37-23-10-12-28(27(34)16-23)47-24-14-15-35-30(17-24)38-29-13-11-25(18-36-29)48(45,46)39(3)4/h5-18,21,26H,19-20H2,1-4H3,(H,37,42)(H,35,36,38)
InChIKeyCKEPSMFIYVUSNF-UHFFFAOYSA-N
XLogP4.83
TPSA154.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500675.74
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-benzyl-N-[4-[[2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[4-[[2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide?
The IUPAC name of 3-benzyl-N-[4-[[2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide (CID 169490110) is 3-benzyl-N-[4-[[2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 3-benzyl-N-[4-[[2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide?
The canonical SMILES for 3-benzyl-N-[4-[[2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide is CC(C)N1CC(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(S(=O)(=O)N(C)C)cn4)c3)c(F)c2)C(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-N-[4-[[2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide?
The InChIKey is CKEPSMFIYVUSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN7O6S/c1-21(2)40-20-26(32(43)41(33(40)44)19-22-8-6-5-7-9-22)31(42)37-23-10-12-28(27(34)16-23)47-24-14-15-35-30(17-24)38-29-13-11-25(18-36-29)48(45,46)39(3)4/h5-18,21,26H,19-20H2,1-4H3,(H,37,42)(H,35,36,38).
What are the key properties of 3-benzyl-N-[4-[[2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide?
3-benzyl-N-[4-[[2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide has a molecular weight of 675.74 g/mol, XLogP of 4.83, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[4-[[2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 169490110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).