N-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide

C22H25N5O2S — CID 52944463

IUPACN-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide
SMILESCN1CCc2nc(NCCc3ccccc3)nc(NS(=O)(=O)c3ccccc3)c2C1
InChIInChI=1S/C22H25N5O2S/c1-27-15-13-20-19(16-27)21(26-30(28,29)18-10-6-3-7-11-18)25-22(24-20)23-14-12-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H2,23,24,25,26)
InChIKeyODXCFRNRWZCXFH-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.92
Rot. Bonds7

About N-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide

N-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide (PubChem CID 52944463) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide
PubChem CID52944463
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC NameN-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide
SMILESCN1CCc2nc(NCCc3ccccc3)nc(NS(=O)(=O)c3ccccc3)c2C1
InChIInChI=1S/C22H25N5O2S/c1-27-15-13-20-19(16-27)21(26-30(28,29)18-10-6-3-7-11-18)25-22(24-20)23-14-12-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H2,23,24,25,26)
InChIKeyODXCFRNRWZCXFH-UHFFFAOYSA-N
XLogP2.92
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide 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-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide (CID 52944463) is N-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide is CN1CCc2nc(NCCc3ccccc3)nc(NS(=O)(=O)c3ccccc3)c2C1.
What is the InChIKey of N-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide?
The InChIKey is ODXCFRNRWZCXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-27-15-13-20-19(16-27)21(26-30(28,29)18-10-6-3-7-11-18)25-22(24-20)23-14-12-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H2,23,24,25,26).
What are the key properties of N-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide?
N-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide has a molecular weight of 423.54 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 52944463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).