N-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide

C21H20N6O2 — CID 53474095

IUPACN-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21
InChIInChI=1S/C21H20N6O2/c1-25(13-15-7-6-10-22-11-15)18(28)14-27-20-17(26(2)21(27)29)12-23-19(24-20)16-8-4-3-5-9-16/h3-12H,13-14H2,1-2H3
InChIKeySEPYNUDPEWVUGL-UHFFFAOYSA-N
MW388.43 g/mol
LogP1.85
Rot. Bonds5

About N-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide

N-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 53474095) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID53474095
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21
InChIInChI=1S/C21H20N6O2/c1-25(13-15-7-6-10-22-11-15)18(28)14-27-20-17(26(2)21(27)29)12-23-19(24-20)16-8-4-3-5-9-16/h3-12H,13-14H2,1-2H3
InChIKeySEPYNUDPEWVUGL-UHFFFAOYSA-N
XLogP1.85
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)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-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 53474095) is N-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide is CN(Cc1cccnc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21.
What is the InChIKey of N-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is SEPYNUDPEWVUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-25(13-15-7-6-10-22-11-15)18(28)14-27-20-17(26(2)21(27)29)12-23-19(24-20)16-8-4-3-5-9-16/h3-12H,13-14H2,1-2H3.
What are the key properties of N-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide?
N-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 388.43 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 53474095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).