N-[(2-amino-4,6-dimethylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide

C22H26N6O4S — CID 10183697

IUPACN-[(2-amino-4,6-dimethylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1nc(N)nc(C)c1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
InChIInChI=1S/C22H26N6O4S/c1-14-9-10-19(27-33(31,32)13-17-7-5-4-6-8-17)21(30)28(14)12-20(29)24-11-18-15(2)25-22(23)26-16(18)3/h4-10,27H,11-13H2,1-3H3,(H,24,29)(H2,23,25,26)
InChIKeyWWDLLPDVKDJMAJ-UHFFFAOYSA-N
MW470.56 g/mol
LogP1.40
Rot. Bonds8

About N-[(2-amino-4,6-dimethylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide

N-[(2-amino-4,6-dimethylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 10183697) has the molecular formula C22H26N6O4S and a molecular weight of 470.56 g/mol. Its IUPAC name is N-[(2-amino-4,6-dimethylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2-amino-4,6-dimethylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
PubChem CID10183697
Molecular FormulaC22H26N6O4S
Molecular Weight470.56 g/mol
Exact Mass470.17
IUPAC NameN-[(2-amino-4,6-dimethylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1nc(N)nc(C)c1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
InChIInChI=1S/C22H26N6O4S/c1-14-9-10-19(27-33(31,32)13-17-7-5-4-6-8-17)21(30)28(14)12-20(29)24-11-18-15(2)25-22(23)26-16(18)3/h4-10,27H,11-13H2,1-3H3,(H,24,29)(H2,23,25,26)
InChIKeyWWDLLPDVKDJMAJ-UHFFFAOYSA-N
XLogP1.40
TPSA149.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(2-amino-4,6-dimethylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide 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 N-[(2-amino-4,6-dimethylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(2-amino-4,6-dimethylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide (CID 10183697) is N-[(2-amino-4,6-dimethylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(2-amino-4,6-dimethylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(2-amino-4,6-dimethylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide is Cc1nc(N)nc(C)c1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O.
What is the InChIKey of N-[(2-amino-4,6-dimethylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is WWDLLPDVKDJMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4S/c1-14-9-10-19(27-33(31,32)13-17-7-5-4-6-8-17)21(30)28(14)12-20(29)24-11-18-15(2)25-22(23)26-16(18)3/h4-10,27H,11-13H2,1-3H3,(H,24,29)(H2,23,25,26).
What are the key properties of N-[(2-amino-4,6-dimethylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
N-[(2-amino-4,6-dimethylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 470.56 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-4,6-dimethylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 10183697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).